3-fluorocyclohexan-1-amine

• ChemBase ID: 240538
• Molecular Formular: C6H12FN
• Molecular Mass: 117.1645832
• Monoisotopic Mass: 117.09537761
• SMILES: C1C(N)CCCC1F
• Canonical SMILES: NC1CCCC(C1)F
• InChI: InChI=1S/C6H12FN/c7-5-2-1-3-6(8)4-5/h5-6H,1-4,8H2
• InChIKey: ZPZKJQKFLQCCMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluorocyclohexan-1-amine
• IUPAC Traditional name: 3-fluorocyclohexan-1-amine
• Synonyms: 3-fluorocyclohexan-1-amine

Database IDs

• MDL Number: MFCD18791204
• PubChem SID: 164296448
• PubChem CID: 57675151

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.4214442
• LogD (pH = 7.4): -2.0940528
• Log P: 0.6053909
• Molar Refractivity: 30.8668 cm^3
• Polarizability: 12.273428 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.91

Product Information

• Purity: 95%