ethyl 5-(trifluoromethyl)-1H-indole-2-carboxylate

ethyl 5-(trifluoromethyl)-1H-indole-2-carboxylate

Formula: C12H10F3NO2

SMILES: CCOC(=O)C1=CC2=CC(=CC=C2N1)C(F)(F)F

IUPAC: ethyl 5-(trifluoromethyl)-1H-indole-2-carboxylate

InChI: InChI=1S/C12H10F3NO2/c1-2-18-11(17)10-6-7-5-8(12(13,14)15)3-4-9(7)16-10/h3-6,16H,2H2,1H3

Composition: C (56.04%), H (3.92%), F (22.16%), N (5.45%), O (12.44%)

Molar Mass: 257.212

Atom Count: 28

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	257.066363055
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	XFZOLYIGTWILKO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.77
Topological Polar Surface Area	42.09
Polarizability	22.88
Ring Count	2
Rotatable Bond Count	4

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C12H10F3NO2		Quote Only