(1,1-dichloro-2,2,2-trifluoroethyl)cyclohexane

• ChemBase ID: 100891
• Molecular Formular: C8H11Cl2F3
• Molecular Mass: 235.0741496
• Monoisotopic Mass: 234.01899037
• SMILES: FC(C(C1CCCCC1)(Cl)Cl)(F)F
• Canonical SMILES: ClC(C(F)(F)F)(C1CCCCC1)Cl
• InChI: InChI=1S/C8H11Cl2F3/c9-7(10,8(11,12)13)6-4-2-1-3-5-6/h6H,1-5H2
• InChIKey: NCRRMHTVEHUXCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1,1-dichloro-2,2,2-trifluoroethyl)cyclohexane
• IUPAC Traditional name: (1,1-dichloro-2,2,2-trifluoroethyl)cyclohexane
• Synonyms: (1,1-Dichlorotrifluoroethyl)cyclohexane

Database IDs

• MDL Number: MFCD00155753
• PubChem SID: 162087456
• PubChem CID: 2736856

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.694051
• LogD (pH = 7.4): 4.694051
• Log P: 4.694051
• Molar Refractivity: 47.7243 cm^3
• Polarizability: 17.987568 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant