2,3,5-Ttrifluorobenzaldehyde

C₇H₃F₃OCAS 126202-23-1160.10 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

126202-23-1

SMILES

C1=C(C=C(C(=C1C=O)F)F)F

InChIKey

RQUNVQGCKIBORD-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

2,3,5-Trifluorobenzaldehyde

Work with 2,3,5-Ttrifluorobenzaldehyde

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

2,4-Difluorobenzaldehyde1550-35-257 % similar 1,2,3,5-Tetrafluorobenzene2367-82-056 % similar 2,3-Difluorobenzaldehyde2646-91-552 % similar 3-(2,3,5-Trifluorophenyl)-2-propenoic acid237761-79-451 % similar 1,2,5-Trifluoro-3-methylbenzene132992-29-145 % similar 3,5-Difluorobenzaldehyde32085-88-445 % similar 2-Fluoro-4-hydroxybenzaldehyde348-27-644 % similar 2-Bromo-5-fluorobenzaldehyde94569-84-344 % similar

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

Same formula

2,3,6-Trifluorobenzaldehyde104451-70-9 3,4,5-Trifluorobenzaldehyde132123-54-7 2,3,4-Trifluorobenzaldehyde161793-17-5 2,4,5-Trifluorobenzaldehyde165047-24-5

Elsewhere

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