(1S,2S)-2-(difluoromethyl)cyclopropan-1-amine

• ChemBase ID: 279551
• Molecular Formular: C4H7F2N
• Molecular Mass: 107.1018864
• Monoisotopic Mass: 107.05465567
• SMILES: [C@@H]1(C[C@@H]1N)C(F)F
• Canonical SMILES: FC([C@H]1C[C@@H]1N)F
• InChI: InChI=1S/C4H7F2N/c5-4(6)2-1-3(2)7/h2-4H,1,7H2/t2-,3-/m0/s1
• InChIKey: GAIGMFMTIOWSIT-HRFVKAFMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S,2S)-2-(difluoromethyl)cyclopropan-1-amine
• IUPAC Traditional name: (1S,2S)-2-(difluoromethyl)cyclopropan-1-amine
• Synonyms: (1S,2S)-2-(difluoromethyl)cyclopropan-1-amine

Database IDs

• MDL Number: MFCD20441571
• PubChem SID: 164335461
• PubChem CID: 54595331

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.9423935
• LogD (pH = 7.4): -2.3015707
• Log P: 0.07156605
• Molar Refractivity: 21.4928 cm^3
• Polarizability: 8.4952345 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.415

Product Information

• Purity: 95%