chempirical

3-(Trifluoromethyl)benzaldoxime

C8H6F3NOCAS 368-83-2189.14 g/mol

Open in Covalent MOL file
FFFNOH
Alkyl halideOxime

Properties

Molecular formula
C8H6F3NO
Molar mass
189.14 g/mol
Exact mass
189.0401 Da
logP
2.51Crippen estimate
Polar surface area
32.6 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1
Double bonds
EE/Z, in SMILES order

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
368-83-2
SMILES
C1=CC(=CC(=C1)C(F)(F)F)/C=N/O
InChIKey
GIONPAPDKZQLTK-LFYBBSHMSA-N
InChI
InChI=1S/C8H6F3NO/c9-8(10,11)7-3-1-2-6(4-7)5-12-13/h1-5,13H/b12-5+

Weigh it out

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

Work with 3-(Trifluoromethyl)benzaldoxime

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-(Trifluoromethyl)benzaldehyde454-89-756 % similar 3,5-Bis(trifluoromethyl)benzene402-31-352 % similar 3-(Trifluoromethyl)cinnamic acid779-89-549 % similar Benzaldehyde oxime932-90-148 % similar 3-(Trifluoromethyl)phenol98-17-947 % similar 3'-Trifluoromethylbiphenyl-3-carbaldehyde126091-24-546 % similar 3-Fluorobenzotrifluoride401-80-945 % similar 1-[3-(Trifluoromethyl)phenyl]but-1-en-3-one80992-92-345 % similar

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

Same formula

3-(Trifluoromethyl)benzamide1801-10-1 4-(Trifluoromethyl)benzamide1891-90-3 1-(4-Aminophenyl)-2,2,2-trifluoroethanone23516-79-2 1-[6-(Trifluoromethyl)pyridin-3-yl]ethanone358780-14-0 2-(Trifluoromethyl)benzamide360-64-5 2,2,2-Trifluoro-N-phenylacetamide404-24-0

Elsewhere

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