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

C5H8BrF3CAS 1447671-73-9205.02 g/mol

Open in Covalent MOL file
BrFFF
Alkyl halide

Properties

Molecular formula
C5H8BrF3
Molar mass
205.02 g/mol
Exact mass
203.9761 Da
logP
2.97Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Hazards

Danger
Flammable (GHS02)Corrosive (GHS05)Irritant (GHS07)

Aggregated from the 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, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

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

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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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