Free Chemical Databases
-
[Synonyms]
[Structure]
[ Properties Computed from Structure]
Molecular Weight 293.351546 [g/mol] Molecular Formula C17H21F2NO XLogP 4.5 H-Bond Donor 1 H-Bond Acceptor 3 Rotatable Bond Count 6 Tautomer Count 2 Exact Mass 293.159121 MonoIsotopic Mass 293.159121 Topological Polar Surface Area 29.1 Heavy Atom Count 21 Formal Charge 0 Complexity 375 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 2 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 6-(3,5-difluorophenyl)-N-(2,2-dimethylpropyl)hexa-2,4-dienamide
Canonical SMILES: CC(C)(C)CNC(=O)C=CC=CCC1=CC(=CC(=C1)F)F
InChI: InChI=1/C17H21F2NO/c1-17(2,
3)12-20-16(21)8-6-4-5-7-13-9-14(18)11-15(19)10-13/h4-6,8-11H,7,12H2,
1-3H3,(H,20,21)/f/h20H
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