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Molecule
2-(Perfluorohexyl)Ethanol
CAS: 647-42-7 · C8H5F13O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 647-42-7
- Molecular Formula
- C8H5F13O
- Molecular Mass
- 364.10 g/mol
Identifiers
CAS Registry Number
647-42-7
SMILES
OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI Key
GRJRKPMIRMSBNK-UHFFFAOYSA-N
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
Names and Synonyms
- 2-(Perfluorohexyl)Ethanol Synonym
- 1-Octanol, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro- Synonym
- 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-octanol Synonym
- 2-(Perfluorohexyl)ethyl alcohol Synonym
- 2-(Perfluorohexyl)ethanol Synonym
- 2-(Tridecafluorohexyl)ethanol Synonym
- 1,1,2,2-Tetrahydroperfluorooctanol Synonym
- 1H,1H,2H,2H-Perfluorooctan-1-ol Synonym
- Perfluorohexylethanol Synonym
- 1H,1H,2H,2H-Perfluorooctanol Synonym
- Fluowet EA 600 Synonym
- A 1620 Synonym
- 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctanol Synonym
- 1H,1H,2H,2H-Tridecafluorooctanol Synonym
- 1,1,2,2-Tetrahydrotridecafluorooctanol Synonym
- 1H,1H,2H,2H-Tridecafluoro-n-octanol Synonym
- 1H,1H,2H,2H-Perfluoro-1-octanol Synonym
- 1,1,2,2-Tetrahydroperfluorooctan-1-ol Synonym
- Foralkyl EOH 6 Synonym
- 6:2 FTOH Synonym
- Cheminox FA 6 Synonym
- 6:2 Fluorotelomer alcohol Synonym
- 1H,1H,2H,2H-Tetrahydroperfluoro-1-octanol Synonym
- 1H,1H,2H,2H-Tridecafluoro-1-octanol Synonym
- TEOH 6 Synonym
- Capstone 62AL Synonym
- S 104 Synonym
- S 104 (fluorocompound) Synonym
- Capstone AL 62 Synonym
- H 829808 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 364.10 g/mol | CAS Common Chemistry |
| 364.10099999999994 g/mol | RDKit | |
| 364.101 g/mol | RDKit | |
| Density | 1.68 g/cm³ | CAS Common Chemistry |
| 1.6782 g/cm3 @ 25 °C | 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 |
| 4.1076 | RDKit | |
| Molar Refractivity | 42.49280000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 364.01328164000006 g/mol | RDKit |
| Boiling Point | 88-95 °C @ 230-280 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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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 = 364.10 g/mol; density = 1.680 g/mL. Edit any field — others recompute live.
