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Molecule
2-(Perfluorobutyl)Ethanol
CAS: 2043-47-2 · C6H5F9O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2043-47-2
- Molecular Formula
- C6H5F9O
- Molecular Mass
- 264.09 g/mol
Identifiers
CAS Registry Number
2043-47-2
SMILES
OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI Key
JCMNMOBHVPONLD-UHFFFAOYSA-N
InChI
InChI=1S/C6H5F9O/c7-3(8,1-2-16)4(9,10)5(11,12)6(13,14)15/h16H,1-2H2
Names and Synonyms
- 2-(Perfluorobutyl)Ethanol Synonym
- 1-Hexanol, 3,3,4,4,5,5,6,6,6-nonafluoro- Synonym
- 3,3,4,4,5,5,6,6,6-Nonafluoro-1-hexanol Synonym
- 2-(Perfluorobutyl)ethyl alcohol Synonym
- 1,1,2,2-Tetrahydroperfluorohexyl alcohol Synonym
- 2-(Perfluorobutyl)ethanol Synonym
- 1H,1H,2H,2H-Perfluorohexanol Synonym
- 1H,1H,2H,2H-Perfluorohexan-1-ol Synonym
- 1H,1H,2H,2H-Nonafluorohexanol Synonym
- A 1420 Synonym
- 3,3,4,4,5,5,6,6,6-Nonafluorohexanol Synonym
- 1H,1H,2H,2H-Nonafluoro-1-hexanol Synonym
- 1H,1H,2H,2H-Nonafluoro-n-hexanol Synonym
- 1,1,2,2-Tetrahydroperfluorohexan-1-ol Synonym
- 4:2 FTOH Synonym
- TEOH 4 Synonym
- Perfluorobutylethanol Synonym
- 6,6,6,5,5,4,4,3,3-Nonafluorohexan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 264.09 g/mol | CAS Common Chemistry |
| 264.087 g/mol | RDKit | |
| Canonical SMILES | FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCO | CAS Common Chemistry |
| InChI | InChI=1S/C6H5F9O/c7-3(8,1-2-16)4(9,10)5(11,12)6(13,14)15/h16H,1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=JCMNMOBHVPONLD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-(Perfluorobutyl)ethanol | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 2.8370000000000006 | RDKit |
| 2.837 | RDKit | |
| Molar Refractivity | 32.5988 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 264.01966876000006 g/mol | RDKit |
| Boiling Point | 65 °C @ 20 Torr | CAS Common Chemistry |
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 |
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200 ppm
180
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20
0 ppm
| 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 = 264.09 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H5F9O.
