methyl (2E)-3-[2-amino-4-(trifluoromethyl)phenyl]prop-2-enoate

methyl (2E)-3-[2-amino-4-(trifluoromethyl)phenyl]prop-2-enoate

CAS: 231296-89-2

Formula: C11H10F3NO2

SMILES: COC(=O)C=CC1=CC=C(C=C1N)C(F)(F)F

IUPAC: methyl (2E)-3-[2-amino-4-(trifluoromethyl)phenyl]prop-2-enoate

InChI: InChI=1S/C11H10F3NO2/c1-17-10(16)5-3-7-2-4-8(6-9(7)15)11(12,13)14/h2-6H,15H2,1H3/b5-3+

Composition: C (53.88%), H (4.11%), F (23.24%), N (5.71%), O (13.05%)

Molar Mass: 245.201

Atom Count: 27

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	245.066363055
Formal Charge	0
FSP3	0.18
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	AKLLEXKUYCBJED-HWKANZROSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.5
Topological Polar Surface Area	52.32
Polarizability	20.56
Ring Count	1
Rotatable Bond Count	4

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