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Molecule
(Perfluorooctyl)Ethanol
CAS: 678-39-7 · C10H5F17O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 678-39-7
- Molecular Formula
- C10H5F17O
- Molecular Mass
- 464.11 g/mol
Identifiers
CAS Registry Number
678-39-7
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 Key
JJUBFBTUBACDHW-UHFFFAOYSA-N
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
Names and Synonyms
- (Perfluorooctyl)Ethanol Synonym
- 1-Decanol, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro- Synonym
- 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluoro-1-decanol Synonym
- 1,1,2,2-Tetrahydroperfluorodecanol Synonym
- 2-(Perfluorooctyl)ethanol Synonym
- 1,1,2,2-Tetrahydroperfluorodecyl alcohol Synonym
- 1H,1H,2H,2H-Perfluorodecanol Synonym
- 2-(Heptadecafluorooctyl)ethanol Synonym
- PFA 8 Synonym
- (Perfluorooctyl)ethanol Synonym
- 2-(Perfluorooctyl)ethyl alcohol Synonym
- 1H,1H,2H,2H-Perfluorodecan-1-ol Synonym
- 1,1,2,2-Tetrahydroheptadecafluorodecanol Synonym
- A 1820 Synonym
- β-(Heptadecafluorooctyl)ethanol Synonym
- C 1820 Synonym
- 1,1,2,2-Tetrahydroperfluorodecan-1-ol Synonym
- 8-2 Telomer B alcohol Synonym
- 8-2 Fluorotelomer alcohol Synonym
- Fluowet EA 800 Synonym
- Daikin A 1820 Synonym
- 8:2 FTOH Synonym
- 1H,1H,2H,2H-Heptadecafluoro-1-decanol Synonym
- 1H,1H,2H,2H-Tetrahydroperfluoro-1-decanol Synonym
- H 817023 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 464.11 g/mol | CAS Common Chemistry |
| 464.11499999999995 g/mol | RDKit | |
| 464.115 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 |
| 5.3782 | RDKit | |
| Molar Refractivity | 52.3868 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 464.00689452000006 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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 = 464.11 g/mol. Edit any field — others recompute live.
