3-Bromo-1,1,1-trifluoro-2,2-dimethylpropane

C₅H₈BrF₃CAS 1447671-73-9205.02 g/mol

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Properties

Molecular formula: C₅H₈BrF₃
Molar mass: 205.02 g/mol
Exact mass: 203.9761 Da
logP: 2.97Crippen 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

1447671-73-9

SMILES

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

InChIKey

OMAWMXSFDUBZGY-UHFFFAOYSA-N

InChI

InChI=1S/C5H8BrF3/c1-4(2,3-6)5(7,8)9/h3H2,1-2H3

Weigh it out

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Names and synonyms

1 names

1-Bromo-2,2-dimethyl-3,3,3-trifluoropropane

Work with 3-Bromo-1,1,1-trifluoro-2,2-dimethylpropane

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-1,1,1-trifluoroethane421-06-738 % similar 1-Bromo-2,2-dimethylpropane630-17-138 % similar 2-Bromoisobutyl bromide594-34-336 % similar 1,2-Dibromo-1,1-difluoroethane75-82-135 % similar 2-Bromo-1,1,1,2,3,3,3-heptafluoropropane422-77-532 % similar 1-Bromo-2,2-dimethoxypropane126-38-531 % similar 3,3,3-Trifluoro-2-methyl-2-(trifluoromethyl)propan-1-ol2927-17-531 % similar 3-Bromo-2,2-dimethyl-1-propanol40894-00-631 % similar

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

Elsewhere

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