3-Bromo-1,1,1-trifluoro-2-propanol

C₃H₄BrF₃OCAS 88378-50-1192.96 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₃H₄BrF₃O
Molar mass: 192.96 g/mol
Exact mass: 191.9398 Da
logP: 1.30Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers
H315 Causes skin irritation97.7% of notifiers
H319 Causes serious eye irritation97.7% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 44 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

88378-50-1

SMILES

C(C(C(F)(F)F)O)Br

InChIKey

VBHIIZIQRDVGDH-UHFFFAOYSA-N

InChI

InChI=1S/C3H4BrF3O/c4-1-2(8)3(5,6)7/h2,8H,1H2

Weigh it out

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

Work with 3-Bromo-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Amino-1,1,1-trifluoropropan-2-ol431-38-950 % similar 2,3-Dibromo-1,1,1-trifluoropropane431-21-046 % similar 1,1,1,3,3,3-Hexafluoro-2-propanol29463-77-236 % similar 2,2,2-Trifluoro-1,1-ethanediol421-53-436 % similar Hexafluoro-2-propanol920-66-136 % similar 1,3-Dibromo-2-propanol96-21-936 % similar Ethyl 4,4,4-trifluoro-3-hydroxybutanoate372-30-534 % similar 4-(Trifluoromethyl)cyclohexan-1-ol30129-18-133 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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