2-Bromo-3,3,4,4,4-pentafluoro-1-butene

C₄H₂BrF₅CAS 68318-95-6224.96 g/mol

Open in Covalent MOL file

Alkene Alkyl halide Vinyl halide

Properties

Molecular formula: C₄H₂BrF₅
Molar mass: 224.96 g/mol
Exact mass: 223.9260 Da
logP: 3.09Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
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

68318-95-6

SMILES

C=C(C(C(F)(F)F)(F)F)Br

InChIKey

AAYAPGNGKQASNS-UHFFFAOYSA-N

InChI

InChI=1S/C4H2BrF5/c1-2(5)3(6,7)4(8,9)10/h1H2

Weigh it out

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

Names and synonyms

1 names

2-Bromo-3,3,4,4,4-pentafluorobut-1-ene

Work with 2-Bromo-3,3,4,4,4-pentafluoro-1-butene

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

2-Bromo-3,3,3-trifluoro-1-propene1514-82-550 % similar 2,2,3,3,3-Pentafluoropropanamide354-76-738 % similar 1,1,2,3,3,4,4,5,5,6,6,7,7,7-Tetradecafluoro-1-heptene355-63-533 % similar Pentafluoropropionic anhydride356-42-333 % similar Perfluoropropionic acid422-64-033 % similar Perfluoro(2-methyl-2-pentene)1584-03-832 % similar Perfluoro(2-methyl-3-pentanone)756-13-832 % similar Methyl 2,2,3,3,3-pentafluoropropanoate378-75-630 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook