1-chloro-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane

• ChemBase ID: 8213
• Molecular Formular: C6ClF11
• Molecular Mass: 316.4996352
• Monoisotopic Mass: 315.9512881
• SMILES: C1(C(C(C(C(C1(F)F)(Cl)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC1(F)C(F)(F)C(F)(F)C(C(C1(F)F)(F)Cl)(F)F
• InChI: InChI=1S/C6ClF11/c7-1(8)2(9,10)4(13,14)6(17,18)5(15,16)3(1,11)12
• InChIKey: KGZKBHYAEBRMAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane
• IUPAC Traditional name: 1-chloro-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane
• Synonyms: Chloroperfluorocyclohexane

Database IDs

• CAS Number: 336-15-2
• MDL Number: MFCD00798132
• PubChem SID: 160971520
• PubChem CID: 2736633

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.6372833
• LogD (pH = 7.4): 4.6372833
• Log P: 4.6372833
• Molar Refractivity: 32.9265 cm^3
• Polarizability: 13.256141 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 30-31°C

Safety Information

• Storage Warning: Irritant
• TSCA Listed: false