3,3-difluoropropan-1-amine

• ChemBase ID: 267430
• Molecular Formular: C3H7F2N
• Molecular Mass: 95.0911864
• Monoisotopic Mass: 95.05465567
• SMILES: C(CCN)(F)F
• Canonical SMILES: NCCC(F)F
• InChI: InChI=1S/C3H7F2N/c4-3(5)1-2-6/h3H,1-2,6H2
• InChIKey: ITYSTTQEKQMPKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3-difluoropropan-1-amine
• IUPAC Traditional name: 3,3-difluoropropan-1-amine
• Synonyms: 3,3-difluoropropan-1-amine

Database IDs

• MDL Number: MFCD12024564
• PubChem SID: 164323340
• PubChem CID: 12032288

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.9085538
• LogD (pH = 7.4): -2.3803208
• Log P: 0.11118
• Molar Refractivity: 18.931 cm^3
• Polarizability: 7.390657 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.46

Product Information

• Purity: 95%