chempirical

3-(Trifluoromethyl)benzamidoxime

C8H7F3N2OCAS 40067-80-9204.15 g/mol

Open in Covalent MOL file
FFFNOHNH2
Alkyl halideAmidineOxime

Properties

Molecular formula
C8H7F3N2O
Molar mass
204.15 g/mol
Exact mass
204.0510 Da
logP
1.80Crippen estimate
Polar surface area
58.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1
Double bonds
ZE/Z, in SMILES order

Identifiers

CAS number
40067-80-9
SMILES
C1=CC(=CC(=C1)C(F)(F)F)/C(=N/O)/N
InChIKey
SBGBSARAGZEWGI-UHFFFAOYSA-N
InChI
InChI=1S/C8H7F3N2O/c9-8(10,11)6-3-1-2-5(4-6)7(12)13-14/h1-4,14H,(H2,12,13)

Weigh it out

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

Work with 3-(Trifluoromethyl)benzamidoxime

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)acetophenone oxime99705-50-765 % similar 3,3'-Bis(trifluoromethyl)benzophenone1868-00-453 % similar 3-(Trifluoromethyl)benzamide1801-10-153 % similar 3-(Trifluoromethyl)benzoic acid454-92-253 % similar 3-(Trifluoromethyl)benzoyl fluoride328-99-450 % similar 3-(Trifluoromethyl)benzoyl chloride2251-65-249 % similar 3′-(Trifluoromethyl)acetophenone349-76-849 % similar 3-(Trifluoromethyl)benzophenone728-81-449 % similar

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

Same formula

N-Hydroxy-4-(trifluoromethyl)benzenecarboximidamide22179-86-8 3-(Trifluoromethyl)benzoic acid hydrazide22227-25-4 p-(Trifluoromethyl)benzoylhydrazine339-59-3 2-(Trifluoromethyl)benzoic acid hydrazide344-95-6

Elsewhere

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