Back to Search
2-(Perfluorohexyl)Ethanol
CAS: 647-42-7 | C8H5F13O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
647-42-7
Molecular Formula:
C8H5F13O
Molecular Mass:
364.10 g/mol
Names and Synonyms:
2-(Perfluorohexyl)Ethanol
1-Octanol, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-
3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-octanol
2-(Perfluorohexyl)ethyl alcohol
2-(Perfluorohexyl)ethanol
2-(Tridecafluorohexyl)ethanol
1,1,2,2-Tetrahydroperfluorooctanol
1H,1H,2H,2H-Perfluorooctan-1-ol
Perfluorohexylethanol
1H,1H,2H,2H-Perfluorooctanol
Fluowet EA 600
A 1620
3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctanol
1H,1H,2H,2H-Tridecafluorooctanol
1,1,2,2-Tetrahydrotridecafluorooctanol
1H,1H,2H,2H-Tridecafluoro-n-octanol
1H,1H,2H,2H-Perfluoro-1-octanol
1,1,2,2-Tetrahydroperfluorooctan-1-ol
Foralkyl EOH 6
6:2 FTOH
Cheminox FA 6
6:2 Fluorotelomer alcohol
1H,1H,2H,2H-Tetrahydroperfluoro-1-octanol
1H,1H,2H,2H-Tridecafluoro-1-octanol
TEOH 6
Capstone 62AL
S 104
S 104 (fluorocompound)
Capstone AL 62
H 829808
Identifiers:
SMILES:
OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI:
InChI=1S/C8H5F13O/c9-3(10,1-2-22)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h22H,1-2H2
Key Properties
Boiling Point
88-95 °C @ Press: 230-280 Torr
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 | 364.10 g/mol | CAS Common Chemistry |
| 364.10099999999994 g/mol | RDKit | |
| 364.01328164000006 g/mol | RDKit | |
| Density | 1.68 g/cm³ | CAS Common Chemistry |
| 1.6782 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 88-95 °C @ Press: 230-280 Torr | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCO | CAS Common Chemistry |
| InChI | InChI=1S/C8H5F13O/c9-3(10,1-2-22)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h22H,1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=GRJRKPMIRMSBNK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-(Perfluorohexyl)ethanol | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 4.107600000000001 | RDKit |
| Molar Refractivity | 42.49280000000001 | RDKit |
