1,1,1-Trifluoro-2-propanol

C₃H₅F₃OCAS 374-01-6114.07 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₃H₅F₃O
Molar mass: 114.07 g/mol
Exact mass: 114.0292 Da
Density: 1.2709 g/mL (at 16 °C)
Melting point: −52 °C
Boiling point: 75.5 °C
logP: 0.93Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H225 Highly Flammable liquid and vapor89.8% of notifiers
H226 Flammable liquid and vapor10.2% of notifiers
H315 Causes skin irritation98% of notifiers
H319 Causes serious eye irritation18.4% of notifiers
H335 May cause respiratory irritation98% of notifiers

Aggregated from 49 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

374-01-6

SMILES

CC(O)C(F)(F)F

InChIKey

GILIYJDBJZWGBG-UHFFFAOYSA-N

InChI

InChI=1S/C3H5F3O/c1-2(7)3(4,5)6/h2,7H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

6 names

2-Propanol, 1,1,1-trifluoro-
1-Methyl-2,2,2-trifluoroethanol
1,1,1-Trifluoropropane-2-ol
NSC 3637
1,1,1-Trifluoroisopropanol
1-(Trifluoromethyl)ethanol

Work with 1,1,1-Trifluoro-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.

(2S)-1,1,1-Trifluoropropan-2-ol3539-97-7Defined stereoisomer

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.

All similar compounds

Same formula

3,3,3-Trifluoro-1-propanol2240-88-2 2,2,2-Trifluoroethyl methyl ether460-43-5 Poly(difluoromethylene), α-fluoro-ω-(2-hydroxyethyl)-65530-60-1

Elsewhere

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