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Molecule
Hexafluoro-2-Propanol
CAS: 920-66-1 · C3H2F6O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 920-66-1
- Molecular Formula
- C3H2F6O
- Molecular Mass
- 168.04 g/mol
Identifiers
CAS Registry Number
920-66-1
SMILES
OC(C(F)(F)F)C(F)(F)F
InChI Key
BYEAHWXPCBROCE-UHFFFAOYSA-N
InChI
InChI=1S/C3H2F6O/c4-2(5,6)1(10)3(7,8)9/h1,10H
Names and Synonyms
- Hexafluoro-2-Propanol Synonym
- 2-Propanol, 1,1,1,3,3,3-hexafluoro- Synonym
- 1,1,1,3,3,3-Hexafluoro-2-propanol Synonym
- Hexafluoroisopropanol Synonym
- 1,1,1,3,3,3-Hexafluoroisopropyl alcohol Synonym
- Hexafluoroisopropyl alcohol Synonym
- Bis(trifluoromethyl)methanol Synonym
- 2,2,2-Trifluoro-1-(trifluoromethyl)ethanol Synonym
- 1,1,1,3,3,3-Hexafluoroisopropanol Synonym
- 1,1,1,3,3,3-Hexafluoro-2-hydroxypropane Synonym
- NSC 96336 Synonym
- HFIP Synonym
- 1,1,1,3,3,3-Hexafluoropropanol Synonym
- 1,1,1,3,3,3-Hexafluoropropane-2-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 168.04 g/mol | CAS Common Chemistry |
| 168.03599999999997 g/mol | RDKit | |
| 168.036 g/mol | RDKit | |
| Density | 1.46 g/cm³ | CAS Common Chemistry |
| 1.4563 g/cm3 @ 20.5 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Hexafluoro-2-propanol | CAS Common Chemistry |
| Melting Point | -4 °C | CAS Common Chemistry |
| Boiling Point | 59 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)C(O)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C3H2F6O/c4-2(5,6)1(10)3(7,8)9/h1,10H | CAS Common Chemistry |
| InChI Key | InChIKey=BYEAHWXPCBROCE-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,1,1,3,3,3-Hexafluoro-2-propanol | CAS Common Chemistry |
| Hexafluoro-2-propanol | CAS Common Chemistry | |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 1.4719 | RDKit |
| Molar Refractivity | 18.1168 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 168.000984004 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
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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.
External Resources
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MW = 168.04 g/mol; density = 1.460 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H2F6O.
