3-Bromo-3,3-difluoropropene

C₃H₃BrF₂CAS 420-90-6156.96 g/mol

Open in Covalent MOL file

Alkene Alkyl halide

Properties

Molecular formula: C₃H₃BrF₂
Molar mass: 156.96 g/mol
Exact mass: 155.9386 Da
logP: 2.16Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

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

420-90-6

SMILES

C=CC(F)(F)Br

InChIKey

GDDNTTHUKVNJRA-UHFFFAOYSA-N

InChI

InChI=1S/C3H3BrF2/c1-2-3(4,5)6/h2H,1H2

Weigh it out

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

Names and synonyms

1 names

3-Bromo-3,3-difluoroprop-1-ene

Work with 3-Bromo-3,3-difluoropropene

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

4-Bromo-3,3,4,4-tetrafluoro-1-butene18599-22-943 % similar 3,3,3-Trifluoropropene677-21-442 % similar 1-Bromo-2-chloro-1,1,2-trifluoro-3-butene374-25-438 % similar 3,3,4,4,5,5,6,6-Octafluoroocta-1,7-diene678-65-936 % similar (Perfluorobutyl)ethylene19430-93-436 % similar Dodecafluoro-1,9-decadiene1800-91-535 % similar 1,8-Divinylperfluorooctane35192-44-035 % similar Heptadecafluoro-1-decene21652-58-435 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook