(2,2-difluorocyclopropyl)methanamine

• ChemBase ID: 277861
• Molecular Formular: C4H7F2N
• Molecular Mass: 107.1018864
• Monoisotopic Mass: 107.05465567
• SMILES: C1(C(C1)CN)(F)F
• Canonical SMILES: NCC1CC1(F)F
• InChI: InChI=1S/C4H7F2N/c5-4(6)1-3(4)2-7/h3H,1-2,7H2
• InChIKey: ISMZEPBEQCSYFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,2-difluorocyclopropyl)methanamine
• IUPAC Traditional name: (2,2-difluorocyclopropyl)methanamine
• Synonyms: (2,2-difluorocyclopropyl)methanamine

Database IDs

• CAS Number: 847926-81-2
• MDL Number: MFCD13189563
• PubChem SID: 164333771
• PubChem CID: 21072530

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -3.002281
• LogD (pH = 7.4): -2.472965
• Log P: 0.01740449
• Molar Refractivity: 22.0406 cm^3
• Polarizability: 8.495827 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.305

Product Information

• Purity: 95%; 98%