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Molecule
Perfluoromethylcyclohexane
CAS: 355-02-2 · C7F14
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 355-02-2
- Molecular Formula
- C7F14
- Molecular Mass
- 350.05 g/mol
Identifiers
CAS Registry Number
355-02-2
SMILES
FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChI Key
QIROQPWSJUXOJC-UHFFFAOYSA-N
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
Names and Synonyms
- Perfluoromethylcyclohexane Synonym
- Cyclohexane, 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(trifluoromethyl)- Synonym
- Cyclohexane, undecafluoro(trifluoromethyl)- Synonym
- 1,1,2,2,3,3,4,4,5,5,6-Undecafluoro-6-(trifluoromethyl)cyclohexane Synonym
- Perfluoro(methylcyclohexane) Synonym
- Undecafluoro(trifluoromethyl)cyclohexane Synonym
- Flutec PP 2 Synonym
- PP 2 Synonym
- Flutec PC 2 Synonym
- NSC 4779 Synonym
- Khladon 350 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 350.05 g/mol | CAS Common Chemistry |
| 350.0489999999999 g/mol | RDKit | |
| 350.049 g/mol | RDKit | |
| Density | 1.80 g/cm³ | CAS Common Chemistry |
| 1.7994 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Perfluoromethylcyclohexane | CAS Common Chemistry |
| Boiling Point | 76.3 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=QIROQPWSJUXOJC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -44.7 °C | CAS Common Chemistry |
| Name | Perfluoro(methylcyclohexane) | CAS Common Chemistry |
| Heavy Atom Count | 21 | 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 | 4.447100000000001 | RDKit |
| 4.4471 | RDKit | |
| Molar Refractivity | 34.629000000000005 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 349.97764508 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
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 = 350.05 g/mol; density = 1.800 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7F14.
