chempirical

3-Bromo-1,1,1-trifluoro-2-propanol

C3H4BrF3OCAS 88378-50-1192.96 g/mol

Open in Covalent MOL file
FFFOHBr
AlcoholAlkyl halide

Properties

Molecular formula
C3H4BrF3O
Molar mass
192.96 g/mol
Exact mass
191.9398 Da
logP
1.30Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
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
88378-50-1
SMILES
C(C(C(F)(F)F)O)Br
InChIKey
VBHIIZIQRDVGDH-UHFFFAOYSA-N
InChI
InChI=1S/C3H4BrF3O/c4-1-2(8)3(5,6)7/h2,8H,1H2

Weigh it out

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

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

3-Amino-1,1,1-trifluoropropan-2-ol431-38-950 % similar 2,3-Dibromo-1,1,1-trifluoropropane431-21-046 % similar 1,1,1,3,3,3-Hexafluoro-2-propanol29463-77-236 % similar 2,2,2-Trifluoro-1,1-ethanediol421-53-436 % similar Hexafluoro-2-propanol920-66-136 % similar 1,3-Dibromo-2-propanol96-21-936 % similar Ethyl 4,4,4-trifluoro-3-hydroxybutanoate372-30-534 % similar 4-(Trifluoromethyl)cyclohexan-1-ol30129-18-133 % similar

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

Elsewhere

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