3,4,5-Trifluorobenzenemethanol

C₇H₅F₃OCAS 220227-37-2162.11 g/mol

Open in Covalent MOL file

Alcohol Aryl halide

Properties

Molecular formula: C₇H₅F₃O
Molar mass: 162.11 g/mol
Exact mass: 162.0292 Da
logP: 1.60Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

220227-37-2

SMILES

C1=C(C=C(C(=C1F)F)F)CO

InChIKey

HRSFRSLKOPFWMZ-UHFFFAOYSA-N

InChI

InChI=1S/C7H5F3O/c8-5-1-4(3-11)2-6(9)7(5)10/h1-2,11H,3H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

3,4,5-Trifluorobenzyl alcohol

Work with 3,4,5-Trifluorobenzenemethanol

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

2,3,5,6-Tetrafluorobenzyl alcohol4084-38-260 % similar 3,4-Difluorobenzenemethanol85118-05-458 % similar 2,3,4,5-Tetrafluorobenzenemethanol53072-18-756 % similar 3,4,5-Trifluorobenzyl bromide220141-72-054 % similar 3,4,5-Trifluorobenzenemethanamine235088-69-454 % similar 3-Fluoro-4-methylbenzyl alcohol192702-79-750 % similar 3,4,5-Trifluorophenylacetic acid209991-62-850 % similar (4-Bromo-3-fluorophenyl)methanol222978-01-050 % similar

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

Same formula

2,3,6-Trifluorobenzyl alcohol114152-19-1 2,4,6-Trifluorobenzyl alcohol118289-07-9 2,3,4-Trifluorobenzyl alcohol144284-24-2 2,4,5-Trifluorobenzyl alcohol144284-25-3 2,3,4-Trifluoroanisole203245-16-3 4-(Trifluoromethyl)phenol402-45-9 2-(Trifluoromethyl)phenol444-30-4 (Trifluoromethoxy)benzene456-55-3

Elsewhere

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