3,3-difluorocyclobutan-1-amine

• ChemBase ID: 262816
• Molecular Formular: C4H7F2N
• Molecular Mass: 107.1018864
• Monoisotopic Mass: 107.05465567
• SMILES: C1(CC(C1)N)(F)F
• Canonical SMILES: NC1CC(C1)(F)F
• InChI: InChI=1S/C4H7F2N/c5-4(6)1-3(7)2-4/h3H,1-2,7H2
• InChIKey: RKATWUBDSJHPEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3-difluorocyclobutan-1-amine
• IUPAC Traditional name: 3,3-difluorocyclobutan-1-amine
• Synonyms: 3,3-difluorocyclobutan-1-amine; 3,3-DIFLUOROCYCLOBUTANAMINE

Database IDs

• CAS Number: 637031-93-7
• MDL Number: MFCD11869718
• PubChem SID: 164318726
• PubChem CID: 22500951

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.5105646
• LogD (pH = 7.4): -1.8807517
• Log P: 0.5040322
• Molar Refractivity: 21.1916 cm^3
• Polarizability: 8.495785 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.365

Product Information

• Purity: 95%; 98%