benzyl(2,2-difluoroethyl)amine

• ChemBase ID: 284173
• Molecular Formular: C9H11F2N
• Molecular Mass: 171.1871464
• Monoisotopic Mass: 171.0859558
• SMILES: N(CC(F)F)Cc1ccccc1
• Canonical SMILES: FC(CNCc1ccccc1)F
• InChI: InChI=1S/C9H11F2N/c10-9(11)7-12-6-8-4-2-1-3-5-8/h1-5,9,12H,6-7H2
• InChIKey: OUSJSLQIBWQADW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(2,2-difluoroethyl)amine
• IUPAC Traditional name: benzyl(2,2-difluoroethyl)amine
• Synonyms: benzyl(2,2-difluoroethyl)amine

Database IDs

• MDL Number: MFCD12772329
• PubChem SID: 180669704
• PubChem CID: 50896648

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.8731557
• LogD (pH = 7.4): 1.9348619
• Log P: 1.9979304
• Molar Refractivity: 43.8664 cm^3
• Polarizability: 16.784193 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.085

Product Information

• Purity: 95%