1-Bromo-2-(trifluoromethyl)-3,3,3-trifluoroprop-1-ene

C₄HBrF₆CAS 382-15-0242.95 g/mol

Open in Covalent MOL file

Alkene Alkyl halide Vinyl halide

Properties

Molecular formula: C₄HBrF₆
Molar mass: 242.95 g/mol
Exact mass: 241.9166 Da
logP: 3.39Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

382-15-0

SMILES

FC(F)(F)C(=CBr)C(F)(F)F

InChIKey

YPKJLUMZCXWKMY-UHFFFAOYSA-N

InChI

InChI=1S/C4HBrF6/c5-1-2(3(6,7)8)4(9,10)11/h1H

Weigh it out

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

Names and synonyms

4 names

1-Bromo-3,3,3-trifluoro-2-(trifluoromethyl)-1-propene
1-Propene, 1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)-
Propene, 1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)-
1-Bromo-2-(trifluoromethyl)-3,3,3-trifluoropropene

Work with 1-Bromo-2-(trifluoromethyl)-3,3,3-trifluoroprop-1-ene

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

1,2-Dibromo-3,3,3-trifluoro-1-propene431-22-152 % similar 2,3-Dichloro-1,1,1,4,4,4-hexafluoro-2-butene303-04-835 % similar 2-Bromo-1,1-difluoroethene359-08-035 % similar (E)-1-Chloro-2,3,3,3-tetrafluoropropene111512-52-833 % similar (Z)-1-Chloro-2,3,3,3-tetrafluoropropene111512-60-833 % similar 1,2-Dichloro-3,3,3-trifluoroprop-1-ene431-27-633 % similar 1,1,1-Trichloro-3,3,3-trifluoro-2-propanone758-42-933 % similar 2-Chloro-1,1,1,4,4,4-hexafluoro-2-butene400-44-232 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromo-1,1,1,4,4,4-hexafluoro-2-butene400-41-9

Elsewhere

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