1,1,2,2-tetrachloro-1-fluoroethane

• ChemBase ID: 107429
• Molecular Formular: C2HCl4F
• Molecular Mass: 185.8397432
• Monoisotopic Mass: 183.88163897
• SMILES: FC(Cl)(Cl)C(Cl)Cl
• Canonical SMILES: ClC(C(Cl)(Cl)F)Cl
• InChI: InChI=1S/C2HCl4F/c3-1(4)2(5,6)7/h1H
• InChIKey: LUBCGHUOCJOIJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2,2-tetrachloro-1-fluoroethane
• IUPAC Traditional name: 1,1,2,2-tetrachloro-1-fluoroethane
• Synonyms: 1-FLUORO-1,1,2,2-TETRACHLOROETHANE

Database IDs

• PubChem SID: 162106036
• PubChem CID: 61105

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.8731844
• LogD (pH = 7.4): 2.8731844
• Log P: 2.8731844
• Molar Refractivity: 31.4861 cm^3
• Polarizability: 12.102494 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05203703

MP Biomedicals Rare Chemical collection