chempirical

3-Bromo-1,1,1-trifluoropropane

C3H4BrF3CAS 460-32-2176.96 g/mol

Open in Covalent MOL file
BrFFF
Alkyl halide

Properties

Molecular formula
C3H4BrF3
Molar mass
176.96 g/mol
Exact mass
175.9448 Da
logP
2.33Crippen estimate
Polar surface area
0.0 Ų
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
460-32-2
SMILES
C(CBr)C(F)(F)F
InChIKey
SAUGMJLWYLQPEM-UHFFFAOYSA-N
InChI
InChI=1S/C3H4BrF3/c4-2-1-3(5,6)7/h1-2H2

Weigh it out

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Work with 3-Bromo-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Bromo-4,4,4-trifluorobutane406-81-567 % similar 2-Bromo-1,1,1-trifluoroethane421-06-744 % similar 1,4-Dibromo-1,1,2,2-tetrafluorobutane18599-20-743 % similar 1-Bromo-3,3-dimethylbutane1647-23-040 % similar 3,3,3-Trifluoro-1-propanol2240-88-240 % similar Chlorotrifluoropropane460-35-540 % similar 1,1,1-Trifluoro-3-iodopropane460-37-740 % similar Poly(difluoromethylene), α-fluoro-ω-(2-hydroxyethyl)-65530-60-140 % similar

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

Elsewhere

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