ethyl 2-amino-4-[3-(trifluoromethyl)phenyl]thiophene-3-carboxylate

ethyl 2-amino-4-[3-(trifluoromethyl)phenyl]thiophene-3-carboxylate

CAS: 1018830-98-2

Formula: C14H12F3NO2S

SMILES: CCOC(=O)C1=C(N)SC=C1C1=CC(=CC=C1)C(F)(F)F

IUPAC: ethyl 2-amino-4-[3-(trifluoromethyl)phenyl]thiophene-3-carboxylate

InChI: InChI=1S/C14H12F3NO2S/c1-2-20-13(19)11-10(7-21-12(11)18)8-4-3-5-9(6-8)14(15,16)17/h3-7H,2,18H2,1H3

Composition: C (53.33%), H (3.84%), F (18.08%), N (4.44%), O (10.15%), S (10.17%)

Molar Mass: 315.31

Atom Count: 33

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	315.054084293
Formal Charge	0
FSP3	0.21
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	AFZMELADLMEJDJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.91
Topological Polar Surface Area	52.32
Polarizability	28.42
Ring Count	2
Rotatable Bond Count	5

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