chempirical

4-(Trifluoromethoxy)benzaldoxime

C8H6F3NO2CAS 150162-39-3205.14 g/mol

Open in Covalent MOL file
NHOOFFF
Alkyl halideEtherOxime

Properties

Molecular formula
C8H6F3NO2
Molar mass
205.14 g/mol
Exact mass
205.0351 Da
logP
2.39Crippen estimate
Polar surface area
41.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
150162-39-3
SMILES
C1=CC(=CC=C1/C=N/O)OC(F)(F)F
InChIKey
SFLMISFBFTUVTD-LFYBBSHMSA-N
InChI
InChI=1S/C8H6F3NO2/c9-8(10,11)14-7-3-1-6(2-4-7)5-12-13/h1-5,13H/b12-5+

Weigh it out

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

Work with 4-(Trifluoromethoxy)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

4-(Trifluoromethoxy)benzaldehyde659-28-955 % similar [C(Z)]-4-Fluorobenzaldehyde oxime588-95-450 % similar 4-(Trifluoromethoxy)phenol828-27-350 % similar 1-Fluoro-4-(trifluoromethoxy)benzene352-67-047 % similar 4-(Trifluoromethoxy)benzenemethanol1736-74-946 % similar 4-(Trifluoromethoxy)benzylamine93919-56-346 % similar 1-Bromo-4-(trifluoromethoxy)benzene407-14-745 % similar 1-Chloro-4-(trifluoromethoxy)benzene461-81-445 % similar

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

Same formula

3-Amino-4-(trifluoromethyl)benzoic acid125483-00-3 2-(Trifluoromethoxy)benzamide127979-74-2 Methyl 4-(trifluoromethyl)nicotinate175204-82-7 3-Amino-5-(trifluoromethyl)benzoic acid328-68-7 4-Amino-3-(trifluoromethyl)benzoic acid400-76-0 2-Amino-4-(trifluoromethyl)benzoic acid402-13-1 2-Methyl-1-nitro-3-(trifluoromethyl)benzene6656-49-1

Elsewhere

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