Hexafluoro-2-propanol
Properties
- Molecular formula
- C3H2F6O
- Molar mass
- 168.04 g/mol
- Exact mass
- 168.0010 Da
- Density
- 1.4563 g/mL (at 20.5 °C)
- Melting point
- −4 °C
- Boiling point
- 59 °C
- Flash point
- 93 °C
- Water solubility
- ≥ 100 g/L (20 °C)
- logP
- 1.47Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H302 Harmful if swallowed90.5% of notifiers
- H312 Harmful in contact with skin36% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
- H318 Causes serious eye damage38% of notifiers
- H332 Harmful if inhaled91% of notifiers
- H335 May cause respiratory irritation55.5% of notifiers
- H361 Suspected of damaging fertility or the unborn child10% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure12% of notifiers
Aggregated from 200 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P330, P362+P364, P363, P403+P233, P405, P501
Identifiers
CAS number
920-66-1SMILES
OC(C(F)(F)F)C(F)(F)FInChIKey
BYEAHWXPCBROCE-UHFFFAOYSA-NInChI
InChI=1S/C3H2F6O/c4-2(5,6)1(10)3(7,8)9/h1,10HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
13 names · show all
- 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
Work with Hexafluoro-2-propanol
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
2,2,2-Trifluoro-1,1-ethanediol421-53-450 % similar
(2S)-1,1,1-Trifluoropropan-2-ol3539-97-744 % similar
1,1,1-Trifluoro-2-propanol374-01-644 % similar
4-(Trifluoromethyl)cyclohexan-1-ol30129-18-136 % similar
3-Amino-1,1,1-trifluoropropan-2-ol431-38-936 % similar
Trifluoroacetaldehyde methyl hemiacetal431-46-936 % similar
3-Bromo-1,1,1-trifluoro-2-propanol88378-50-136 % similar
Pentafluoroethane354-33-635 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.