4'-Morpholinomethyl-3,4,5-trifluorobenzophenone , CAS No.898770-71-3

CAS: 898770-71-3 Cat. No.: M1262425 Formula: C₁₈H₁₆F₃NO₂ Peso molecolare: 335.326 PubChem CID: 24724262

Storage

Room temperature

Shipped In

Normal

Specifications

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Nomi e identificatori

Sorrisi canonici

C1COCCN1CC2=CC=C(C=C2)C(=O)C3=CC(=C(C(=C3)F)F)F

IUPAC Name

[4-(morpholin-4-ylmethyl)phenyl]-(3,4,5-trifluorophenyl)methanone

InChIKey

VJUYHVFHTJGZCQ-UHFFFAOYSA-N

INCHI

1S/C18H16F3NO2/c19-15-9-14(10-16(20)17(15)21)18(23)13-3-1-12(2-4-13)11-22-5-7-24-8-6-22/h1-4,9-10H,5-8,11H2

Isomeri SMILES

C1COCCN1CC2=CC=C(C=C2)C(=O)C3=CC(=C(C(=C3)F)F)F

PubChem CID

24724262

Peso molecolare

335.326

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Aryl-phenylketones Diphenylmethanes Phenylmethylamines Benzoyl derivatives Benzylamines Aralkylamines Fluorobenzenes Aryl fluorides Morpholines Trialkylamines Dialkyl ethers Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organofluorides Organopnictogen compounds Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzophenone - Diphenylmethane - Aryl-phenylketone - Benzoyl - Benzylamine - Phenylmethylamine - Aryl ketone - Fluorobenzene - Halobenzene - Aralkylamine - Oxazinane - Aryl fluoride - Aryl halide - Morpholine - Tertiary aliphatic amine - Tertiary amine - Ketone - Oxacycle - Azacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Hydrocarbon derivative - Amine - Organic oxide - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Proprietà chimiche e fisiche

• Peso molecolare: 335.300 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 335.113 Da
• Monoisotopic Mass: 335.113 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 410.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Domande frequenti

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 898770-71-3, the molecular formula is C18H16F3NO2, and the molecular weight is 335.326 g/mol. InChIKey VJUYHVFHTJGZCQ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.