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2-(Perfluorodecyl)Ethanol
CAS: 865-86-1 | C12H5F21O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
865-86-1
Molecular Formula:
C12H5F21O
Molecular Mass:
564.13 g/mol
Names and Synonyms:
2-(Perfluorodecyl)Ethanol
1-Dodecanol, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heneicosafluoro-
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Heneicosafluoro-1-dodecanol
2-(Perfluorodecyl)ethanol
PFA 10
1,1,2,2-Tetrahydroperfluorododecanol
1H,1H,2H,2H-Perfluorododecanol
1,1,2,2-Tetrahydrohenicosafluorododecanol
1H,1H,2H,2H-Perfluorododecan-1-ol
A 2020
A 2020 (fluoro compound)
2-(Perfluorodecyl)ethyl alcohol
3-(Perfluorodecyl)ethanol
10:2 FTOH
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12, 12,12-Heneicosafluorododecan-1-ol
10:2 Fluorotelomer alcohol
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Henicosafluorododecan-1-ol
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)C(F)(F)C(F)(F)F
InChI:
InChI=1S/C12H5F21O/c13-3(14,1-2-34)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h34H,1-2H2
Key Properties
Boiling Point
111-111.5 °C @ Press: 10 Torr
CAS Common Chemistry
Melting Point
92-93 °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 | 564.13 g/mol | CAS Common Chemistry |
| 564.1290000000001 g/mol | RDKit | |
| 564.0005074000001 g/mol | RDKit | |
| Boiling Point | 111-111.5 °C @ Press: 10 Torr | 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)C(F)(F)C(F)(F)CCO | CAS Common Chemistry |
| InChI | InChI=1S/C12H5F21O/c13-3(14,1-2-34)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h34H,1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=FLXYIZWPNQYPIT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 92-93 °C | CAS Common Chemistry |
| Name | 2-(Perfluorodecyl)ethanol | CAS Common Chemistry |
| Heavy Atom Count | 34 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 6.648800000000004 | RDKit |
| Molar Refractivity | 62.28079999999999 | RDKit |
