3,3-difluorocycloheptan-1-amine

• ChemBase ID: 245802
• Molecular Formular: C7H13F2N
• Molecular Mass: 149.1816264
• Monoisotopic Mass: 149.10160586
• SMILES: C1(CC(N)CCCC1)(F)F
• Canonical SMILES: NC1CCCCC(C1)(F)F
• InChI: InChI=1S/C7H13F2N/c8-7(9)4-2-1-3-6(10)5-7/h6H,1-5,10H2
• InChIKey: IGVISOHTYUJWKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD23144154
• PubChem SID: 164301712
• PubChem CID: 71757806

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.5538868
• LogD (pH = 7.4): -1.176554
• Log P: 1.4714874
• Molar Refractivity: 35.5622 cm^3
• Polarizability: 13.8977785 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.312

Product Information

• Purity: null%