Back to Search
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
Names and Synonyms:
Perfluorohexane
Hexane, 1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluoro-
Hexane, tetradecafluoro-
1,1,1,2,2,3,3,4,4,5,5,6,6,6-Tetradecafluorohexane
Perfluorohexane
Perfluoro-n-hexane
Tetradecafluorohexane
Flutec PP 1
n-Tetradecafluorohexane
PP 1
Fluorinert FC 72
FC 72
Fluorinert PF 5060
PF 5060
Perflexane
AF 0150
Fluorinert FX 3250D
PFC 51-14
Identifiers:
SMILES:
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI:
InChI=1S/C6F14/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20
Key Properties
Boiling Point
56.6 °C
CAS Common Chemistry
Melting Point
-87.1 °C
CAS Common Chemistry
Density
1.68 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 338.04 g/mol | CAS Common Chemistry |
| 338.03799999999995 g/mol | RDKit | |
| 337.97764508 g/mol | RDKit | |
| Density | 1.68 g/cm³ | CAS Common Chemistry |
| 1.68 g/cm3 @ Temp: 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 |
| Molar Refractivity | 31.898000000000007 | RDKit |
