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Molecule
Perfluorocyclohexane
CAS: 355-68-0 · C6F12
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 355-68-0
- Molecular Formula
- C6F12
- Molecular Mass
- 300.04 g/mol
Identifiers
CAS Registry Number
355-68-0
SMILES
FC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChI Key
RKIMETXDACNTIE-UHFFFAOYSA-N
InChI
InChI=1S/C6F12/c7-1(8)2(9,10)4(13,14)6(17,18)5(15,16)3(1,11)12
Names and Synonyms
- Perfluorocyclohexane Synonym
- Cyclohexane, 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro- Synonym
- Cyclohexane, dodecafluoro- Synonym
- 1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluorocyclohexane Synonym
- Perfluorocyclohexane Synonym
- Dodecafluorocyclohexane Synonym
- FC-c 51-12c Synonym
- NSC 68382 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 300.04 g/mol | CAS Common Chemistry |
| 300.0419999999999 g/mol | RDKit | |
| 300.042 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Perfluorocyclohexane | CAS Common Chemistry |
| Boiling Point | 50.6 °C | CAS Common Chemistry |
| Canonical SMILES | FC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C6F12/c7-1(8)2(9,10)4(13,14)6(17,18)5(15,16)3(1,11)12 | CAS Common Chemistry |
| InChI Key | InChIKey=RKIMETXDACNTIE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 58.2 °C | CAS Common Chemistry |
| Name | Perfluorocyclohexane | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.8118 | RDKit |
| Molar Refractivity | 29.68200000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 299.98083864 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 300.04 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6F12.
