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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
Names and Synonyms:
Hexafluoro-2-Propanol
2-Propanol, 1,1,1,3,3,3-hexafluoro-
1,1,1,3,3,3-Hexafluoro-2-propanol
Hexafluoroisopropanol
1,1,1,3,3,3-Hexafluoroisopropyl alcohol
Hexafluoroisopropyl alcohol
Bis(trifluoromethyl)methanol
2,2,2-Trifluoro-1-(trifluoromethyl)ethanol
1,1,1,3,3,3-Hexafluoroisopropanol
1,1,1,3,3,3-Hexafluoro-2-hydroxypropane
NSC 96336
HFIP
1,1,1,3,3,3-Hexafluoropropanol
1,1,1,3,3,3-Hexafluoropropane-2-ol
Identifiers:
SMILES:
OC(C(F)(F)F)C(F)(F)F
InChI:
InChI=1S/C3H2F6O/c4-2(5,6)1(10)3(7,8)9/h1,10H
Key Properties
Boiling Point
59 °C
CAS Common Chemistry
Melting Point
-4 °C
CAS Common Chemistry
Density
1.46 g/cm³
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 | 168.04 g/mol | CAS Common Chemistry |
| 168.03599999999997 g/mol | RDKit | |
| 168.000984004 g/mol | RDKit | |
| Density | 1.46 g/cm³ | CAS Common Chemistry |
| 1.4563 g/cm3 @ Temp: 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 | RDKit |
