2,5-Bis(trifluoromethyl)benzaldehyde

C₉H₄F₆OCAS 395-64-2242.12 g/mol

Open in Covalent MOL file

Aldehyde Alkyl halide

Properties

Molecular formula: C₉H₄F₆O
Molar mass: 242.12 g/mol
Exact mass: 242.0166 Da
Boiling point: 170–172 °C
logP: 3.54Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

395-64-2

SMILES

O=Cc1cc(C(F)(F)F)ccc1C(F)(F)F

InChIKey

PICGJIQKPLBIES-UHFFFAOYSA-N

InChI

InChI=1S/C9H4F6O/c10-8(11,12)6-1-2-7(9(13,14)15)5(3-6)4-16/h1-4H

Weigh it out

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

Names and synonyms

1 names

Benzaldehyde, 2,5-bis(trifluoromethyl)-

Work with 2,5-Bis(trifluoromethyl)benzaldehyde

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Fluoro-2-(trifluoromethyl)benzaldehyde90381-08-166 % similar 2-Bromo-5-(trifluoromethyl)benzaldehyde102684-91-364 % similar 2-Fluoro-4-(trifluoromethyl)benzaldehyde89763-93-961 % similar 2-Bromo-4-(trifluoromethyl)benzaldehyde85118-24-759 % similar 2-(Trifluoromethyl)benzaldehyde447-61-058 % similar 2-Methoxy-4-(trifluoromethyl)benzaldehyde132927-09-454 % similar 4-(Trifluoromethyl)benzaldehyde455-19-652 % similar 4-Bromo-2-(trifluoromethyl)benzaldehyde861928-27-051 % similar

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

Same formula

3,5-Bis(trifluoromethyl)benzaldehyde401-95-6

Elsewhere

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