3,3-dichloro-1,1,1,2,2-pentafluoropropane

• ChemBase ID: 98462
• Molecular Formular: C3HCl2F5
• Molecular Mass: 202.938056
• Monoisotopic Mass: 201.93754649
• SMILES: ClC(C(C(F)(F)F)(F)F)Cl
• Canonical SMILES: ClC(C(C(F)(F)F)(F)F)Cl
• InChI: InChI=1S/C3HCl2F5/c4-1(5)2(6,7)3(8,9)10/h1H
• InChIKey: COAUHYBSXMIJDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3-dichloro-1,1,1,2,2-pentafluoropropane
• IUPAC Traditional name: 3,3-dichloro-1,1,1,2,2-pentafluoropropane
• Synonyms: 1,1-Dichloro-2,2,3,3,3-pentafluoropropane (HCFC-225ca/cb/aa) 70%

Database IDs

• CAS Number: 422-56-0
• PubChem SID: 162084888
• PubChem CID: 61112

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.160454
• LogD (pH = 7.4): 3.160454
• Log P: 3.160454
• Molar Refractivity: 26.4845 cm^3
• Polarizability: 10.08201 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant