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

• ChemBase ID: 100591
• Molecular Formular: C6Cl2F12
• Molecular Mass: 370.9510384
• Monoisotopic Mass: 369.918544
• SMILES: ClC(C(C(C(F)(F)C(C(Cl)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(Cl)(F)F)(F)F)(C(C(C(Cl)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C6Cl2F12/c7-5(17,18)3(13,14)1(9,10)2(11,12)4(15,16)6(8,19)20
• InChIKey: SNCGKZWVZZPGDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,6-dichloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane
• IUPAC Traditional name: 1,6-dichloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane
• Synonyms: 1,6-Dichloroperfluorohexane

Database IDs

• CAS Number: 355-40-8
• MDL Number: MFCD00155741
• PubChem SID: 162087342
• PubChem CID: 2736851

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.2976613
• LogD (pH = 7.4): 5.2976613
• Log P: 5.2976613
• Molar Refractivity: 41.2108 cm^3
• Polarizability: 15.955054 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 113-114°C

Safety Information

• Storage Warning: Irritant