4,4'-[(4-Fluorophenyl)methylene]dimorpholine , CAS No.6425-29-2

CAS: 6425-29-2 Cat. No.: F1333567 Formula: C₁₅H₂₁FN₂O₂ Peso molecolare: 280.35 PubChem CID: 788579

Storage

Room temperature

Shipped In

Normal

Specifications

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Nomi e identificatori

• Sorrisi canonici: C1COCCN1C(C2=CC=C(C=C2)F)N3CCOCC3
• IUPAC Name: 4-[(4-fluorophenyl)-morpholin-4-ylmethyl]morpholine
• InChIKey: XPRMZPGIFMALGL-UHFFFAOYSA-N
• INCHI: 1S/C15H21FN2O2/c16-14-3-1-13(2-4-14)15(17-5-9-19-10-6-17)18-7-11-20-12-8-18/h1-4,15H,5-12H2
• Isomeri SMILES: C1COCCN1C(C2=CC=C(C=C2)F)N3CCOCC3
• PubChem CID: 788579
• Peso molecolare: 280.35

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorobenzenes
• Alternative Parents: Morpholines Aryl fluorides Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Fluorobenzene - Aryl fluoride - Aryl halide - Morpholine - Oxazinane - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Azacycle - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
• 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: 280.340 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 280.159 Da
• Monoisotopic Mass: 280.159 Da
• Topological Polar Surface Area: 24.900 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 268.000
• 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