2-fluorocyclohexan-1-amine

• ChemBase ID: 246062
• Molecular Formular: C6H12FN
• Molecular Mass: 117.1645832
• Monoisotopic Mass: 117.09537761
• SMILES: C1(C(F)CCCC1)N
• Canonical SMILES: NC1CCCCC1F
• InChI: InChI=1S/C6H12FN/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,8H2
• InChIKey: ZFZUTWAYBJFSIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluorocyclohexan-1-amine
• IUPAC Traditional name: 2-fluorocyclohexan-1-amine
• Synonyms: 2-fluorocyclohexan-1-amine

Database IDs

• MDL Number: MFCD11556326
• PubChem SID: 164301972
• PubChem CID: 12643168

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.9612436
• LogD (pH = 7.4): -0.8067224
• Log P: 0.98999983
• Molar Refractivity: 30.6024 cm^3
• Polarizability: 12.273579 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.21

Product Information

• Purity: null%