| Canonical Smiles | C1CN(CCN1)C(=O)C2=CC=CC=C2OC(F)F |
|---|---|
| IUPAC Name | [2-(difluoromethoxy)phenyl]-piperazin-1-ylmethanone |
| InChIKey | GAYUATPZDHVOEB-UHFFFAOYSA-N |
| INCHI | 1S/C12H14F2N2O2/c13-12(14)18-10-4-2-1-3-9(10)11(17)16-7-5-15-6-8-16/h1-4,12,15H,5-8H2 |
| Molecular Weight | 256.250 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Benzamides |
| Direct Parent | Fluoromethoxy benzamides |
| Alternative Parents | Phenoxy compounds Phenol ethers Benzoyl derivatives Piperazines N-acyl amines Tertiary carboxylic acid amides Amino acids and derivatives Dialkylamines Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Fluoromethoxy benzamide - Phenoxy compound - Phenol ether - Benzoyl - Piperazine - N-acyl-amine - 1,4-diazinane - Tertiary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as fluoromethoxy benzamides. These are organic compounds containing a benzamide, which is substituted by a fluoromethoxy group. |
| External Descriptors | Not available |
| Molecular Weight | 256.250 g/mol |
|---|---|
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 256.102 Da |
| Monoisotopic Mass | 256.102 Da |
| Topological Polar Surface Area | 41.600 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 283.000 |
| 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 |
