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Molecule
Perfluorohexane
CAS: 355-42-0 · C6F14
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 355-42-0
- Molecular Formula
- C6F14
- Molecular Mass
- 338.04 g/mol
Identifiers
CAS Registry Number
355-42-0
SMILES
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI Key
ZJIJAJXFLBMLCK-UHFFFAOYSA-N
InChI
InChI=1S/C6F14/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20
Names and Synonyms
- Perfluorohexane Synonym
- Hexane, 1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluoro- Synonym
- Hexane, tetradecafluoro- Synonym
- 1,1,1,2,2,3,3,4,4,5,5,6,6,6-Tetradecafluorohexane Synonym
- Perfluorohexane Synonym
- Perfluoro-n-hexane Synonym
- Tetradecafluorohexane Synonym
- Flutec PP 1 Synonym
- n-Tetradecafluorohexane Synonym
- PP 1 Synonym
- Fluorinert FC 72 Synonym
- FC 72 Synonym
- Fluorinert PF 5060 Synonym
- PF 5060 Synonym
- Perflexane Synonym
- AF 0150 Synonym
- Fluorinert FX 3250D Synonym
- PFC 51-14 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 338.04 g/mol | CAS Common Chemistry |
| 338.03799999999995 g/mol | RDKit | |
| 338.038 g/mol | RDKit | |
| Density | 1.68 g/cm³ | CAS Common Chemistry |
| 1.68 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Perfluorohexane | CAS Common Chemistry |
| Boiling Point | 56.6 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C6F14/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20 | CAS Common Chemistry |
| InChI Key | InChIKey=ZJIJAJXFLBMLCK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -87.1 °C | CAS Common Chemistry |
| Name | Perfluorohexane | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.652200000000001 | RDKit |
| 4.6522 | RDKit | |
| Molar Refractivity | 31.898000000000007 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 337.97764508 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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Quick conversion
MW = 338.04 g/mol; density = 1.680 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6F14.
