1,2-dichloro-1,2,3,3,4,4,5,5,6,6-decafluorocyclohexane

• ChemBase ID: 9121
• Molecular Formular: C6Cl2F10
• Molecular Mass: 332.954232
• Monoisotopic Mass: 331.92173756
• SMILES: C1(C(C(C(C(C1(F)F)(Cl)F)(F)Cl)(F)F)(F)F)(F)F
• Canonical SMILES: FC1(F)C(F)(F)C(F)(F)C(C(C1(F)F)(F)Cl)(F)Cl
• InChI: InChI=1S/C6Cl2F10/c7-1(9)2(8,10)4(13,14)6(17,18)5(15,16)3(1,11)12
• InChIKey: IESCLXSTSQIECY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dichloro-1,2,3,3,4,4,5,5,6,6-decafluorocyclohexane
• IUPAC Traditional name: 1,2-dichloro-1,2,3,3,4,4,5,5,6,6-decafluorocyclohexane
• Synonyms: 1,2-Dichlorodecafluorocyclohexane

Database IDs

• CAS Number: 336-14-1
• MDL Number: MFCD01862047
• PubChem SID: 160972428
• PubChem CID: 2773999

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.0707107
• LogD (pH = 7.4): 5.0707107
• Log P: 5.0707107
• Molar Refractivity: 37.845 cm^3
• Polarizability: 15.046248 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 32-34°C
• Boiling Point: 108°C
• Flash Point: none°C

Safety Information

• Storage Warning: Irritant
• TSCA Listed: false