3,3,3-Trifluoro-1-propanol

C₃H₅F₃OCAS 2240-88-2114.07 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
logP: 0.93Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

2240-88-2

SMILES

C(CO)C(F)(F)F

InChIKey

HDBGBTNNPRCVND-UHFFFAOYSA-N

InChI

InChI=1S/C3H5F3O/c4-3(5,6)1-2-7/h7H,1-2H2

Weigh it out

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

Work with 3,3,3-Trifluoro-1-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 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.

Poly(difluoromethylene), α-fluoro-ω-(2-hydroxyethyl)-65530-60-1

Similar compounds

4,4,4-Trifluoro-1-butanol461-18-767 % similar 3,3,4,4,5,5,6,6-Octafluoro-1,8-octanediol83192-87-448 % similar 2,2,2-Trifluoroethanol75-89-844 % similar 2-(Perfluorobutyl)ethanol2043-47-240 % similar 3-Bromo-1,1,1-trifluoropropane460-32-240 % similar Chlorotrifluoropropane460-35-540 % similar 1,1,1-Trifluoro-3-iodopropane460-37-740 % similar 3,3-Dimethyl-1-butanol624-95-340 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(2S)-1,1,1-Trifluoropropan-2-ol3539-97-7 1,1,1-Trifluoro-2-propanol374-01-6 2,2,2-Trifluoroethyl methyl ether460-43-5

Elsewhere

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