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Molecule
2-(Perfluorodecyl)Ethanol
CAS: 865-86-1 · C12H5F21O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 865-86-1
- Molecular Formula
- C12H5F21O
- Molecular Mass
- 564.13 g/mol
Identifiers
CAS Registry Number
865-86-1
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 Key
FLXYIZWPNQYPIT-UHFFFAOYSA-N
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
Names and Synonyms
- 2-(Perfluorodecyl)Ethanol Systematic Name
- 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Henicosafluorododecan-1-ol Synonym
- 1-Dodecanol, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heneicosafluoro- Synonym
- 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Heneicosafluoro-1-dodecanol Synonym
- 2-(Perfluorodecyl)ethanol Synonym
- PFA 10 Synonym
- 1,1,2,2-Tetrahydroperfluorododecanol Synonym
- 1H,1H,2H,2H-Perfluorododecanol Synonym
- 1,1,2,2-Tetrahydrohenicosafluorododecanol Synonym
- 1H,1H,2H,2H-Perfluorododecan-1-ol Synonym
- A 2020 Synonym
- A 2020 (fluoro compound) Synonym
- 2-(Perfluorodecyl)ethyl alcohol Synonym
- 3-(Perfluorodecyl)ethanol Synonym
- 10:2 FTOH Synonym
- 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12, 12,12-Heneicosafluorododecan-1-ol Synonym
- 10:2 Fluorotelomer alcohol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 564.13 g/mol | CAS Common Chemistry |
| 564.1290000000001 g/mol | RDKit | |
| 564.129 g/mol | RDKit | |
| 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 |
| 6.6488 | RDKit | |
| Molar Refractivity | 62.28079999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 564.0005074000001 g/mol | RDKit |
| Boiling Point | 111-111.5 °C @ 10 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
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MW = 564.13 g/mol. Edit any field — others recompute live.
