1,1-dichloro-1-fluoroheptane

• ChemBase ID: 97604
• Molecular Formular: C7H13Cl2F
• Molecular Mass: 187.0825232
• Monoisotopic Mass: 186.037834
• SMILES: FC(CCCCCC)(Cl)Cl
• Canonical SMILES: CCCCCCC(Cl)(Cl)F
• InChI: InChI=1S/C7H13Cl2F/c1-2-3-4-5-6-7(8,9)10/h2-6H2,1H3
• InChIKey: NWXOCTRNGMJBBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-dichloro-1-fluoroheptane
• IUPAC Traditional name: 1,1-dichloro-1-fluoroheptane
• Synonyms: 1,1-Dichloro-1-fluoroheptane

Database IDs

• MDL Number: MFCD00155744
• PubChem SID: 162084200
• PubChem CID: 2782509

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.179241
• LogD (pH = 7.4): 4.179241
• Log P: 4.179241
• Molar Refractivity: 44.4621 cm^3
• Polarizability: 17.100922 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant