2-Methyl-3-(trifluoromethyl)benzaldehyde

C₉H₇F₃OCAS 878001-20-8188.15 g/mol

Open in Covalent MOL file

Aldehyde Alkyl halide

Properties

Molecular formula: C₉H₇F₃O
Molar mass: 188.15 g/mol
Exact mass: 188.0449 Da
logP: 2.83Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

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

878001-20-8

SMILES

CC1=C(C=CC=C1C(F)(F)F)C=O

InChIKey

CUQHTBQRXZCFTC-UHFFFAOYSA-N

InChI

InChI=1S/C9H7F3O/c1-6-7(5-13)3-2-4-8(6)9(10,11)12/h2-5H,1H3

Weigh it out

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

Work with 2-Methyl-3-(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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-(Trifluoromethyl)benzaldehyde447-61-065 % similar 2-Fluoro-3-(trifluoromethyl)benzaldehyde112641-20-062 % similar 3-Fluoro-2-methylbenzaldehyde147624-13-356 % similar 2-Methyl-3-(trifluoromethyl)aniline54396-44-055 % similar 2,3-Dimethylbenzaldehyde5779-93-155 % similar 2-Methyl-3-(trifluoromethyl)bromobenzene69902-83-653 % similar 3-Bromo-2-methylbenzaldehyde83647-40-953 % similar 2-Fluoro-6-(trifluoromethyl)benzaldehyde60611-24-749 % similar

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

Same formula

2'-(Trifluoromethyl)acetophenone17408-14-9 3′-(Trifluoromethyl)acetophenone349-76-8 1,1,1-Trifluoro-3-phenyl-2-propanone350-92-5 4-(Trifluoroacetyl)toluene394-59-2 4-(Trifluoromethyl)acetophenone709-63-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook