(2S)-1,1,1-Trifluoropropan-2-ol
Properties
- Molecular formula
- C3H5F3O
- Molar mass
- 114.07 g/mol
- Exact mass
- 114.0292 Da
- logP
- 0.93Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
- Stereocentres
- Sin SMILES atom order
Hazards
Danger
- H225 Highly Flammable liquid and vapor100% of notifiers
- H315 Causes skin irritation40% of notifiers
- H319 Causes serious eye irritation40% of notifiers
- H335 May cause respiratory irritation40% of notifiers
Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
3539-97-7SMILES
C[C@@H](C(F)(F)F)OInChIKey
GILIYJDBJZWGBG-REOHCLBHSA-NInChI
InChI=1S/C3H5F3O/c1-2(7)3(4,5)6/h2,7H,1H3/t2-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- (S)-1,1,1-Trifluoro-2-propanol
Work with (2S)-1,1,1-Trifluoropropan-2-ol
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
3,3,4,4,4-Pentafluoro-2-butanol374-40-352 % similar
1-(2H-Perfluoropropyl)ethanol2711-81-152 % similar
Pinacolyl alcohol464-07-347 % similar
1,1,1,3,3,3-Hexafluoro-2-propanol29463-77-244 % similar
2,2,2-Trifluoro-1,1-ethanediol421-53-444 % similar
Hexafluoro-2-propanol920-66-144 % similar
Trifluoroacetaldehyde methyl hemiacetal431-46-939 % similar
1,1,1-Trifluoro-2-propanamine421-49-838 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.