chempirical

J 147

C18H17F3N2O2CAS 1146963-51-0350.34 g/mol

Open in Covalent MOL file
NOFFFNO
Alkyl halideAmideEtherHydrazone

Properties

Molecular formula
C18H17F3N2O2
Molar mass
350.34 g/mol
Exact mass
350.1242 Da
logP
4.24Crippen estimate
Polar surface area
41.9 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4
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
1146963-51-0
SMILES
CC1=CC(=C(C=C1)N(C(=O)C(F)(F)F)/N=C/C2=CC(=CC=C2)OC)C
InChIKey
HYMZAYGFKNNHDN-SSDVNMTOSA-N
InChI
InChI=1S/C18H17F3N2O2/c1-12-7-8-16(13(2)9-12)23(17(24)18(19,20)21)22-11-14-5-4-6-15(10-14)25-3/h4-11H,1-3H3/b22-11+

Weigh it out

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

Work with J 147

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-Methylanisole100-84-535 % similar 3-Methoxybenzaldehyde591-31-135 % similar N-(2,4-Xylyl)maleimide1080-52-035 % similar 3-Methoxycinnamic acid17570-26-235 % similar 3-Methoxycinnamic acid6099-04-335 % similar 1-(3-Methoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione3007-23-632 % similar 1-Methoxy-3-(2-nitrovinyl)benzene3179-09-731 % similar 3-(3-Methoxyphenyl)benzaldehyde126485-58-331 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook