3-(Trifluoromethyl)benzaldehyde
Properties
- Molecular formula
- C8H5F3O
- Molar mass
- 174.12 g/mol
- Exact mass
- 174.0292 Da
- Density
- 1.3 g/mL (at 27 °C)
- Boiling point
- 83–86 °C
- logP
- 2.52Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Identifiers
CAS number
454-89-7SMILES
O=Cc1cccc(C(F)(F)F)c1InChIKey
NMTUHPSKJJYGML-UHFFFAOYSA-NInChI
InChI=1S/C8H5F3O/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-5HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- Benzaldehyde, 3-(trifluoromethyl)-
- m-Tolualdehyde, α,α,α-trifluoro-
- α,α,α-Trifluoro-m-tolualdehyde
- m-(Trifluoromethyl)benzaldehyde
- 3-(Trifluoromethyl)phenylcarboxaldehyde
Work with 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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
3'-Trifluoromethylbiphenyl-3-carbaldehyde126091-24-580 % similar
3-[3-(Trifluoromethyl)phenoxy]benzaldehyde78725-46-973 % similar
3'-Trifluoromethylbiphenyl-4-carbaldehyde100036-64-467 % similar
3,5-Bis(trifluoromethyl)benzaldehyde401-95-664 % similar
3,5-Bis(trifluoromethyl)benzene402-31-358 % similar
Isophthalaldehyde626-19-758 % similar
2′-(Trifluoromethyl)[1,1′-biphenyl]-3-carboxaldehyde675596-31-354 % similar
3-Fluorobenzaldehyde456-48-453 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds