2,2-difluoropropan-1-amine

• ChemBase ID: 236136
• Molecular Formular: C3H7F2N
• Molecular Mass: 95.0911864
• Monoisotopic Mass: 95.05465567
• SMILES: C(F)(F)(CN)C
• Canonical SMILES: NCC(F)(F)C
• InChI: InChI=1S/C3H7F2N/c1-3(4,5)2-6/h2,6H2,1H3
• InChIKey: JOYPNXSNFIDVPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-difluoropropan-1-amine
• IUPAC Traditional name: 2,2-difluoropropan-1-amine
• Synonyms: 2,2-difluoropropan-1-amine

Database IDs

• MDL Number: MFCD05864394
• PubChem SID: 164292046
• PubChem CID: 2758356

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.9816253
• LogD (pH = 7.4): -0.33333138
• Log P: 0.08893961
• Molar Refractivity: 19.501 cm^3
• Polarizability: 7.391415 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.44

Product Information

• Purity: 95%