1,3-diethyl 2-{[(1E)-2-cyano-2-(3-fluorophenyl)eth-1-en-1-yl]amino}propanedioate

1,3-diethyl 2-{[(1E)-2-cyano-2-(3-fluorophenyl)eth-1-en-1-yl]amino}propanedioate

Formula: C16H17FN2O4

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

IUPAC: 1,3-diethyl 2-{[(1E)-2-cyano-2-(3-fluorophenyl)eth-1-en-1-yl]amino}propanedioate

InChI: InChI=1S/C16H17FN2O4/c1-3-22-15(20)14(16(21)23-4-2)19-10-12(9-18)11-6-5-7-13(17)8-11/h5-8,10,14,19H,3-4H2,1-2H3/b12-10-

Composition: C (59.99%), H (5.35%), F (5.93%), N (8.75%), O (19.98%)

Molar Mass: 320.32

Atom Count: 40

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	320.117235198
Formal Charge	0
FSP3	0.31
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	HPOVCHZGKSQXAS-BENRWUELSA-N
Lipinski's Rule of Five	1
Molar Refractivity	80.45
Topological Polar Surface Area	88.42
Polarizability	30.77
Ring Count	1
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H17FN2O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00