Back to Search
1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluorohexane
CAS: 336-07-2 | C6H2F12
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
336-07-2
Molecular Formula:
C6H2F12
Molecular Mass:
302.06 g/mol
Names and Synonyms:
1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluorohexane
Hexane, 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-
1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluorohexane
1H,6H-Perfluorohexane
α,ω-Dihydroperfluorohexane
1H,6H-Dodecafluorohexane
Identifiers:
SMILES:
FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChI:
InChI=1S/C6H2F12/c7-1(8)3(11,12)5(15,16)6(17,18)4(13,14)2(9)10/h1-2H
Key Properties
Boiling Point
85 °C
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 | 302.06 g/mol | CAS Common Chemistry |
| 302.05799999999994 g/mol | RDKit | |
| 301.996488704 g/mol | RDKit | |
| Boiling Point | 85 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C6H2F12/c7-1(8)3(11,12)5(15,16)6(17,18)4(13,14)2(9)10/h1-2H | CAS Common Chemistry |
| InChI Key | InChIKey=UYDBQWIWVMBDME-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluorohexane | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.0578 | RDKit |
| Molar Refractivity | 31.796000000000006 | RDKit |
