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N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyloxirane-2-carboxamide

N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyloxirane-2-carboxamide

CAS: 90357-51-0

Formula: C12H9F3N2O2

SMILES: CC1(CO1)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F

IUPAC: N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyloxirane-2-carboxamide

InChI: InChI=1/C12H9F3N2O2/c1-11(6-19-11)10(18)17-8-3-2-7(5-16)9(4-8)12(13,14)15/h2-4H,6H2,1H3,(H,17,18)

Composition: C (53.34%), H (3.36%), F (21.09%), N (10.37%), O (11.84%)

Molar Mass: 270.211

Atom Count: 28

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 270.061612027
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey UQUQTWDUTIAAAY-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.56
Topological Polar Surface Area 65.42
Polarizability 21.99
Ring Count 2
Rotatable Bond Count 3

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