1,1-dichloro-1,3,3,3-tetrafluoropropane

• ChemBase ID: 11902
• Molecular Formular: C3H2Cl2F4
• Molecular Mass: 184.9475928
• Monoisotopic Mass: 183.9469683
• SMILES: C(CC(F)(F)F)(Cl)(F)Cl
• Canonical SMILES: FC(CC(Cl)(Cl)F)(F)F
• InChI: InChI=1S/C3H2Cl2F4/c4-2(5,6)1-3(7,8)9/h1H2
• InChIKey: JBSUEXFKGWKQFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-dichloro-1,3,3,3-tetrafluoropropane
• IUPAC Traditional name: 1,1-dichloro-1,3,3,3-tetrafluoropropane
• Synonyms: 1,1-Dichloro-1,3,3,3-tetrafluoropropane

Database IDs

• CAS Number: 64712-27-2
• MDL Number: MFCD02184064
• PubChem SID: 160975209
• PubChem CID: 116662

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.5623114
• LogD (pH = 7.4): 2.5623114
• Log P: 2.5623114
• Molar Refractivity: 26.9906 cm^3
• Polarizability: 9.986757 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%