3,4,5-Trifluorobenzaldehyde

C₇H₃F₃OCAS 132123-54-7160.10 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₇H₃F₃O
Molar mass: 160.10 g/mol
Exact mass: 160.0136 Da
logP: 1.92Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

132123-54-7

SMILES

C1=C(C=C(C(=C1F)F)F)C=O

InChIKey

NLAVHUUABUFSIG-UHFFFAOYSA-N

InChI

InChI=1S/C7H3F3O/c8-5-1-4(3-11)2-6(9)7(5)10/h1-3H

Weigh it out

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

Work with 3,4,5-Trifluorobenzaldehyde

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

3,5-Difluoro-4-hydroxybenzaldehyde118276-06-562 % similar 3,5-Difluorobenzaldehyde32085-88-458 % similar 3,4-Difluorobenzaldehyde34036-07-258 % similar 1,2,3,5-Tetrafluorobenzene2367-82-052 % similar 3-Fluoro-4-iodobenzaldehyde1003709-57-650 % similar 4-Bromo-3-fluorobenzaldehyde133059-43-550 % similar 3-Fluoro-4-methylbenzaldehyde177756-62-650 % similar 3-Fluoro-4-hydroxybenzaldehyde405-05-050 % similar

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

Same formula

2,3,6-Trifluorobenzaldehyde104451-70-9 2,3,5-Ttrifluorobenzaldehyde126202-23-1 2,3,4-Trifluorobenzaldehyde161793-17-5 2,4,5-Trifluorobenzaldehyde165047-24-5

Elsewhere

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