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2,2,3,3-Tetrafluoro-1-Propanol
CAS: 76-37-9 | C3H4F4O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
76-37-9
Molecular Formula:
C3H4F4O
Molecular Mass:
132.06 g/mol
Names and Synonyms:
2,2,3,3-Tetrafluoro-1-Propanol
1-Propanol, 2,2,3,3-tetrafluoro-
2,2,3,3-Tetrafluoro-1-propanol
2,2,3,3-Tetrafluoropropyl alcohol
1,1,3-Trihydroperfluoro-1-propanol
1,1,2,2-Tetrafluoro-3-hydroxypropane
2,2,3,3-Tetrafluoropropanol-1
1H,1H,3H-Tetrafluoro-1-propanol
α,α,ω-Trihydroperfluoropropanol
1-Hydroxy-2,2,3,3-tetrafluoropropane
NSC 113
1H,1H,3H-Perfluoropropanol
Identifiers:
SMILES:
OCC(F)(F)C(F)F
InChI:
InChI=1S/C3H4F4O/c4-2(5)3(6,7)1-8/h2,8H,1H2
Key Properties
Boiling Point
109.5 °C
CAS Common Chemistry
Melting Point
-15 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 132.06 g/mol | CAS Common Chemistry |
| 132.056 g/mol | RDKit | |
| 132.019827628 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 | RDKit |
