1,1,2,2,3,3-hexachloro-1-fluoropropane

• ChemBase ID: 108989
• Molecular Formular: C3HCl6F
• Molecular Mass: 268.7564432
• Monoisotopic Mass: 265.81934433
• SMILES: FC(Cl)(Cl)C(Cl)(Cl)C(Cl)Cl
• Canonical SMILES: ClC(C(C(Cl)(Cl)F)(Cl)Cl)Cl
• InChI: InChI=1S/C3HCl6F/c4-1(5)2(6,7)3(8,9)10/h1H
• InChIKey: FHZPQQVGNLNUBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2,2,3,3-hexachloro-1-fluoropropane
• IUPAC Traditional name: 1,1,2,2,3,3-hexachloro-1-fluoropropane
• Synonyms: 1,1,2,2,3,3-HEXACHLORO-1-FLUOROPROPANE

Database IDs

• PubChem SID: 162106227
• PubChem CID: 25021736

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.4406815
• LogD (pH = 7.4): 4.4406815
• Log P: 4.4406815
• Molar Refractivity: 45.9911 cm^3
• Polarizability: 17.82206 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05209445

MP Biomedicals Rare Chemical collection