5-Bromo-4-chloro-4,5,5-trifluoropentan-1-ol

C₅H₇BrClF₃OCAS 222026-50-8255.46 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₅H₇BrClF₃O
Molar mass: 255.46 g/mol
Exact mass: 253.9321 Da
logP: 2.65Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 4

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

222026-50-8

SMILES

C(CC(C(F)(F)Br)(F)Cl)CO

InChIKey

YTPPNYJNPZSDFJ-UHFFFAOYSA-N

InChI

InChI=1S/C5H7BrClF3O/c6-5(9,10)4(7,8)2-1-3-11/h11H,1-3H2

Weigh it out

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Work with 5-Bromo-4-chloro-4,5,5-trifluoropentan-1-ol

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

1,4-Dibromo-2-chloro-1,1,2-trifluorobutane378-13-257 % similar 5-Bromo-4-chloro-4,5,5-trifluoropentanoic acid232602-79-850 % similar 4,4,5,5,5-Pentafluoro-1-pentanol148043-73-642 % similar 4,4,4-Trifluoro-1-butanol461-18-741 % similar 4,4,5,5,6,6,7,7,7-Nonafluoro-1-heptanol83310-97-841 % similar 3-(Perfluorooctyl)propanol1651-41-840 % similar 4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-1-nonanol80806-68-440 % similar 3-(Perfluoropropyl)propanol679-02-738 % similar

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

Elsewhere

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