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(Perfluorooctyl)Ethanol
CAS: 678-39-7 | C10H5F17O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
678-39-7
Molecular Formula:
C10H5F17O
Molecular Mass:
464.11 g/mol
Names and Synonyms:
(Perfluorooctyl)Ethanol
1-Decanol, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluoro-1-decanol
1,1,2,2-Tetrahydroperfluorodecanol
2-(Perfluorooctyl)ethanol
1,1,2,2-Tetrahydroperfluorodecyl alcohol
1H,1H,2H,2H-Perfluorodecanol
2-(Heptadecafluorooctyl)ethanol
PFA 8
(Perfluorooctyl)ethanol
2-(Perfluorooctyl)ethyl alcohol
1H,1H,2H,2H-Perfluorodecan-1-ol
1,1,2,2-Tetrahydroheptadecafluorodecanol
A 1820
β-(Heptadecafluorooctyl)ethanol
C 1820
1,1,2,2-Tetrahydroperfluorodecan-1-ol
8-2 Telomer B alcohol
8-2 Fluorotelomer alcohol
Fluowet EA 800
Daikin A 1820
8:2 FTOH
1H,1H,2H,2H-Heptadecafluoro-1-decanol
1H,1H,2H,2H-Tetrahydroperfluoro-1-decanol
H 817023
Identifiers:
SMILES:
OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI:
InChI=1S/C10H5F17O/c11-3(12,1-2-28)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h28H,1-2H2
Key Properties
Boiling Point
43 °C
CAS Common Chemistry
Melting Point
43 °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 | 464.11 g/mol | CAS Common Chemistry |
| 464.11499999999995 g/mol | RDKit | |
| 464.00689452000006 g/mol | RDKit | |
| Boiling Point | 43 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCO | CAS Common Chemistry |
| InChI | InChI=1S/C10H5F17O/c11-3(12,1-2-28)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h28H,1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=JJUBFBTUBACDHW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 43 °C | CAS Common Chemistry |
| Name | (Perfluorooctyl)ethanol | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 5.378200000000002 | RDKit |
| Molar Refractivity | 52.3868 | RDKit |
