1-Bromo-4,4,4-trifluorobutane

C₄H₆BrF₃CAS 406-81-5190.99 g/mol

Open in Covalent MOL file

Alkyl halide

Properties

Molecular formula: C₄H₆BrF₃
Molar mass: 190.99 g/mol
Exact mass: 189.9605 Da
logP: 2.72Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Hazards

Warning

H226 Flammable liquid and vapor25% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 8 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

406-81-5

SMILES

C(CC(F)(F)F)CBr

InChIKey

DBCAQXHNJOFNGC-UHFFFAOYSA-N

InChI

InChI=1S/C4H6BrF3/c5-3-1-2-4(6,7)8/h1-3H2

Weigh it out

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

Names and synonyms

1 names

4-Bromo-1,1,1-trifluorobutane

Work with 1-Bromo-4,4,4-trifluorobutane

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-Bromo-1,1,1-trifluoropropane460-32-267 % similar 1,1,1-Trifluoro-4-iodobutane461-17-645 % similar 4,4,4-Trifluoro-1-butanol461-18-745 % similar Trifluoromethylhexan693-09-442 % similar 1,3-Dibromopropane109-64-841 % similar 1,4-Dibromobutane110-52-141 % similar 2-Bromo-1,1,1-trifluoroethane421-06-740 % similar 1,5-Dibromopentane111-24-039 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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