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Molecule
2,2,3,3-Tetrafluoro-1-Propanol
CAS: 76-37-9 · C3H4F4O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 76-37-9
- Molecular Formula
- C3H4F4O
- Molecular Mass
- 132.06 g/mol
Identifiers
CAS Registry Number
76-37-9
SMILES
OCC(F)(F)C(F)F
InChI Key
NBUKAOOFKZFCGD-UHFFFAOYSA-N
InChI
InChI=1S/C3H4F4O/c4-2(5)3(6,7)1-8/h2,8H,1H2
Names and Synonyms
- 2,2,3,3-Tetrafluoro-1-Propanol Systematic Name
- 1-Propanol, 2,2,3,3-tetrafluoro- Synonym
- 2,2,3,3-Tetrafluoro-1-propanol Synonym
- 2,2,3,3-Tetrafluoropropyl alcohol Synonym
- 1,1,3-Trihydroperfluoro-1-propanol Synonym
- 1,1,2,2-Tetrafluoro-3-hydroxypropane Synonym
- 2,2,3,3-Tetrafluoropropanol-1 Synonym
- 1H,1H,3H-Tetrafluoro-1-propanol Synonym
- α,α,ω-Trihydroperfluoropropanol Synonym
- 1-Hydroxy-2,2,3,3-tetrafluoropropane Synonym
- NSC 113 Synonym
- 1H,1H,3H-Perfluoropropanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 132.06 g/mol | CAS Common Chemistry |
| 132.056 g/mol | RDKit | |
| Boiling Point | 109.5 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)C(F)(F)CO | CAS Common Chemistry |
| InChI | InChI=1S/C3H4F4O/c4-2(5)3(6,7)1-8/h2,8H,1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=NBUKAOOFKZFCGD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -15 °C | CAS Common Chemistry |
| Name | 2,2,3,3-Tetrafluoro-1-propanol | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 0.8791 | RDKit |
| Molar Refractivity | 18.0368 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 132.019827628 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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.
External Resources
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MW = 132.06 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H4F4O.
