2,3-Dibromo-1,1,1-trifluoropropane

C₃H₃Br₂F₃CAS 431-21-0255.86 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₃H₃Br₂F₃
Molar mass: 255.86 g/mol
Exact mass: 253.8554 Da
Density: 2.121 g/mL (at 24 °C)
Boiling point: 116 °C
logP: 2.71Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Identifiers

CAS number

431-21-0

SMILES

FC(F)(F)C(Br)CBr

InChIKey

XFOCTDPLVDZSGA-UHFFFAOYSA-N

InChI

InChI=1S/C3H3Br2F3/c4-1-2(5)3(6,7)8/h2H,1H2

Weigh it out

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

Names and synonyms

2 names

Propane, 2,3-dibromo-1,1,1-trifluoro-
1,2-Dibromo-3,3,3-trifluoropropane

Work with 2,3-Dibromo-1,1,1-trifluoropropane

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(±)-Halothane151-67-733 % similar 1,2,3,4-Tetrabromobutane1529-68-633 % similar 2-(Trifluoromethyl)oxirane359-41-133 % similar 1,1,2-Tribromoethane78-74-033 % similar 2-Bromo-1,1-difluoroethane359-07-932 % similar

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

Elsewhere

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