2,3-dichloro-1,1,1-trifluoropropane

• ChemBase ID: 10399
• Molecular Formular: C3H3Cl2F3
• Molecular Mass: 166.9571296
• Monoisotopic Mass: 165.95639012
• SMILES: FC(C(CCl)Cl)(F)F
• Canonical SMILES: ClCC(C(F)(F)F)Cl
• InChI: InChI=1S/C3H3Cl2F3/c4-1-2(5)3(6,7)8/h2H,1H2
• InChIKey: QJMGASHUZRHZBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dichloro-1,1,1-trifluoropropane
• IUPAC Traditional name: 2,3-dichloro-1,1,1-trifluoropropane
• Synonyms: 2,3-Dichloro-1,1,1-trifluoropropane

Database IDs

• CAS Number: 338-75-0
• MDL Number: MFCD00069089
• PubChem SID: 160973706
• PubChem CID: 9561

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.515368
• LogD (pH = 7.4): 2.515368
• Log P: 2.515368
• Molar Refractivity: 25.7759 cm^3
• Polarizability: 9.890429 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 76-77°C
• Refractive Index: 1.3670

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 99%