(trifluoromethyl)cyclohexane

• ChemBase ID: 280173
• Molecular Formular: C7H11F3
• Molecular Mass: 152.1574496
• Monoisotopic Mass: 152.08128501
• SMILES: C(C1CCCCC1)(F)(F)F
• Canonical SMILES: FC(C1CCCCC1)(F)F
• InChI: InChI=1S/C7H11F3/c8-7(9,10)6-4-2-1-3-5-6/h6H,1-5H2
• InChIKey: QXPZOKVSFMRGMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (trifluoromethyl)cyclohexane
• IUPAC Traditional name: perfluoromethylcyclohexane
• Synonyms: (trifluoromethyl)cyclohexane

Database IDs

• MDL Number: MFCD03412289
• PubChem SID: 180665704
• PubChem CID: 6432413

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.2317255
• LogD (pH = 7.4): 3.2317255
• Log P: 3.2317255
• Molar Refractivity: 33.0125 cm^3
• Polarizability: 12.266686 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.147

Product Information

• Purity: 95%