3,5-bis(trifluoromethyl)benzaldehyde; (4-methoxyphenyl)methanamine

Systemtic Name: 3,5-bis(trifluoromethyl)benzaldehyde; (4-methoxyphenyl)methanamine Openeye Name: 3,5-bis(trifluoromethyl)benzaldehyde; (4-methoxyphenyl)methanamine CAS Name: 3,5-bis(trifluoromethyl)benzaldehyde; (4-methoxyphenyl)methanamine IUPAC Name: 3,5-bis(trifluoromethyl)benzaldehyde; (4-methoxyphenyl)methanamine Traditional Name: 3,5-bis(trifluoromethyl)benzaldehyde; p-anisylamine Formula: C17H15F6NO2 MolecularWeight: 379.296919

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN.C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C=O

Isomeric SMILES

COC1=CC=C(C=C1)CN.C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C=O

InChI

InChI=1S/C9H4F6O.C8H11NO/c10-8(11,12)6-1-5(4-16)2-7(3-6)9(13,14)15;1-10-8-4-2-7(6-9)3-5-8/h1-4H;2-5H,6,9H2,1H3