1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(trifluoromethyl)cyclohexane

• ChemBase ID: 6446
• Molecular Formular: C7F14
• Molecular Mass: 350.0525448
• Monoisotopic Mass: 349.97764508
• SMILES: C1(C(C(C(C(C1(F)F)(F)C(F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC1(C(F)(F)F)C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F
• InChI: InChI=1S/C7F14/c8-1(7(19,20)21)2(9,10)4(13,14)6(17,18)5(15,16)3(1,11)12
• InChIKey: QIROQPWSJUXOJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(trifluoromethyl)cyclohexane
• IUPAC Traditional name: perfluoromethylcyclohexane
• Synonyms: Perfluoro(methylcyclohexane) 95%; Perfluoro(methylcyclohexane); (Trifluoromethyl)undecafluorocyclohexane; (Trifluoromethyl)undecafluorocyclohexane; Perfluoromethylcyclohexane; Perfluoro(methylcyclohexane); 十一氟(三氟甲基)环己烷; 全氟(甲基环己烷); 全氟甲基环己烷; 十一氟(三氟甲基)环己烷; 全氟甲基环己烷

Database IDs

• CAS Number: 355-02-2
• EC Number: 206-573-5
• MDL Number: MFCD00001468
• Beilstein Number: 1915981
• PubChem SID: 160969753; 24858283; 24887169
• PubChem CID: 9637

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.642835
• LogD (pH = 7.4): 4.642835
• Log P: 4.642835
• Molar Refractivity: 32.9501 cm^3
• Polarizability: 13.429513 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -70°C
• Boiling Point: 75-76°C; 76 °C(lit.); 76°C
• Flash Point: none°C
• Density: 1.787; 1.787 g/mL at 25 °C(lit.); 1.80 g/mL at 20 °C; 1.800
• Refractive Index: 1.3; 1.3 00; 1.3000; n17/D 1.285(lit.)

Safety Information

• Storage Warning: Irritant
• RTECS: GV7610000
• German water hazard class: 3
• TSCA Listed: true; 是
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: ≥95.0% (GC); 90%; 94%
• Grade: purum; technical grade
• Linear Formula: C6F11CF3

DETAILS

Sigma Aldrich - 302937

Packaging
25, 100 g in ampule