2,2-difluorocyclopropan-1-amine

• ChemBase ID: 281944
• Molecular Formular: C3H5F2N
• Molecular Mass: 93.0753064
• Monoisotopic Mass: 93.03900561
• SMILES: C1(CC1N)(F)F
• Canonical SMILES: NC1CC1(F)F
• InChI: InChI=1S/C3H5F2N/c4-3(5)1-2(3)6/h2H,1,6H2
• InChIKey: ZZZWPZNCTRVYMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-difluorocyclopropan-1-amine
• IUPAC Traditional name: 2,2-difluorocyclopropan-1-amine
• Synonyms: 2,2-difluorocyclopropan-1-amine; 2,2-difluorocyclopropanamine

Database IDs

• CAS Number: 748729-62-6
• MDL Number: MFCD13189565
• PubChem SID: 180667475
• PubChem CID: 15099080

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.4777142
• LogD (pH = 7.4): 0.012057456
• Log P: 0.2337291
• Molar Refractivity: 16.7398 cm^3
• Polarizability: 6.726302 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.206

Product Information

• Purity: 95%; 98%