dodecafluorocyclohexane

• ChemBase ID: 98655
• Molecular Formular: C6F12
• Molecular Mass: 300.0450384
• Monoisotopic Mass: 299.98083864
• SMILES: FC1(C(C(F)(F)C(F)(F)C(C1(F)F)(F)F)(F)F)F
• Canonical SMILES: FC1(F)C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F
• InChI: InChI=1S/C6F12/c7-1(8)2(9,10)4(13,14)6(17,18)5(15,16)3(1,11)12
• InChIKey: RKIMETXDACNTIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dodecafluorocyclohexane
• IUPAC Traditional name: perfluorocyclohexane
• Synonyms: Dodecafluorocyclohexane; Perfluorocyclohexane; Perfluorocyclohexane 99%; 十二氟代环己烷; 全氟代环己烷

Database IDs

• CAS Number: 355-68-0
• EC Number: 206-591-3
• MDL Number: MFCD00003821
• PubChem SID: 24848124; 162085041
• PubChem CID: 9640

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.2038565
• LogD (pH = 7.4): 4.2038565
• Log P: 4.2038565
• Molar Refractivity: 28.008 cm^3
• Polarizability: 11.5091505 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 51 °C (subl.)(lit.); 51(subl.)°C
• Flash Point: none°C
• Density: 1.684
• Refractive Index: 1.2685

Safety Information

• Storage Warning: Irritant/Store under -20°C
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C6F12

DETAILS

Apollo Scientific Ltd - PC5930

Solubility data; Grosse, Cady, Ind. Eng. Chem., 39 (1947)