1,2-dichloro-2-fluoropropane

• ChemBase ID: 109183
• Molecular Formular: C3H5Cl2F
• Molecular Mass: 130.9762032
• Monoisotopic Mass: 129.97523374
• SMILES: CC(F)(Cl)CCl
• Canonical SMILES: ClCC(Cl)(F)C
• InChI: InChI=1S/C3H5Cl2F/c1-3(5,6)2-4/h2H2,1H3
• InChIKey: OTKOPXLUNRNYCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dichloro-2-fluoropropane
• IUPAC Traditional name: 1,2-dichloro-2-fluoropropane
• Synonyms: 1,2-DICHLORO-2-FLUOROPROPANE

Database IDs

• CAS Number: 420-99-5
• PubChem SID: 162095140
• PubChem CID: 101669

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.9838405
• LogD (pH = 7.4): 1.9838405
• Log P: 1.9838405
• Molar Refractivity: 25.813 cm^3
• Polarizability: 9.880981 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05210134

MP Biomedicals Rare Chemical collection