ethyl 2-cyano-3-[4-(trifluoromethyl)phenyl]prop-2-enoate

ethyl 2-cyano-3-[4-(trifluoromethyl)phenyl]prop-2-enoate

CAS: 149550-21-0

Formula: C13H10F3NO2

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

IUPAC: ethyl 2-cyano-3-[4-(trifluoromethyl)phenyl]prop-2-enoate

InChI: InChI=1S/C13H10F3NO2/c1-2-19-12(18)10(8-17)7-9-3-5-11(6-4-9)13(14,15)16/h3-7H,2H2,1H3

Composition: C (58.00%), H (3.74%), F (21.17%), N (5.20%), O (11.89%)

Molar Mass: 269.223

Atom Count: 29

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	269.066363055
Formal Charge	0
FSP3	0.23
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	LTVGCUOWZGIJQG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.6
Topological Polar Surface Area	50.09
Polarizability	22.92
Ring Count	1
Rotatable Bond Count	5

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