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Molecule
2,2,3,3,4,4,5,5-Octafluoro-1-Pentanol
CAS: 355-80-6 · C5H4F8O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 355-80-6
- Molecular Formula
- C5H4F8O
- Molecular Mass
- 232.07 g/mol
Identifiers
CAS Registry Number
355-80-6
SMILES
OCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChI Key
JUGSKHLZINSXPQ-UHFFFAOYSA-N
InChI
InChI=1S/C5H4F8O/c6-2(7)4(10,11)5(12,13)3(8,9)1-14/h2,14H,1H2
Names and Synonyms
- 2,2,3,3,4,4,5,5-Octafluoro-1-Pentanol Synonym
- 1-Pentanol, 2,2,3,3,4,4,5,5-octafluoro- Synonym
- 2,2,3,3,4,4,5,5-Octafluoro-1-pentanol Synonym
- 1H,1H,5H-Octafluoro-1-pentanol Synonym
- 2,2,3,3,4,4,5,5-Octafluoropentanol Synonym
- 1,1,5-Trihydrooctafluoropentan-1-ol Synonym
- 1,1,5-Trihydrooctafluoropentyl alcohol Synonym
- α,α,ω-Trihydroperfluoropentanol Synonym
- 1H,1H,5H-Octafluoro-n-pentanol Synonym
- NSC 114 Synonym
- 1,1,5-Trihydro-1-hydroxyperfluoropentane Synonym
- 1,1,5-Trihydroperfluoropentanol Synonym
- 1H,1H,5H-Perfluoropentanol Synonym
- 1H,1H,5H-Perfluoro-1-pentanol Synonym
- 1,1,5-Trihydroperfluoropentan-1-ol Synonym
- 1,1,2,2,3,3,4,4-Octafluoropentan-5-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 232.07 g/mol | CAS Common Chemistry |
| 232.06999999999996 g/mol | RDKit | |
| Density | 1.67 g/cm³ | CAS Common Chemistry |
| 1.667 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 140.5 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)C(F)(F)C(F)(F)C(F)(F)CO | CAS Common Chemistry |
| InChI | InChI=1S/C5H4F8O/c6-2(7)4(10,11)5(12,13)3(8,9)1-14/h2,14H,1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=JUGSKHLZINSXPQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -65 °C | CAS Common Chemistry |
| Name | 2,2,3,3,4,4,5,5-Octafluoro-1-pentanol | CAS Common Chemistry |
| Heavy Atom Count | 14 | 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 | 2.1497 | RDKit |
| Molar Refractivity | 27.930799999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 232.013440508 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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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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140
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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 = 232.07 g/mol; density = 1.670 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H4F8O.
