methyl 6-(trifluoromethyl)-1H-indole-2-carboxylate

methyl 6-(trifluoromethyl)-1H-indole-2-carboxylate

CAS: 887360-34-1

Formula: C11H8F3NO2

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

IUPAC: methyl 6-(trifluoromethyl)-1H-indole-2-carboxylate

InChI: InChI=1S/C11H8F3NO2/c1-17-10(16)9-4-6-2-3-7(11(12,13)14)5-8(6)15-9/h2-5,15H,1H3

Composition: C (54.33%), H (3.32%), F (23.44%), N (5.76%), O (13.16%)

Molar Mass: 243.185

Atom Count: 25

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	243.050712991
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	DOPVUBUBIYMLBJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.02
Topological Polar Surface Area	42.09
Polarizability	21.06
Ring Count	2
Rotatable Bond Count	3

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