methyl 6-(trifluoromethyl)-1-benzothiophene-2-carboxylate

methyl 6-(trifluoromethyl)-1-benzothiophene-2-carboxylate

CAS: 863118-41-6

Formula: C11H7F3O2S

SMILES: COC(=O)C1=CC2=CC=C(C=C2S1)C(F)(F)F

IUPAC: methyl 6-(trifluoromethyl)-1-benzothiophene-2-carboxylate

InChI: InChI=1S/C11H7F3O2S/c1-16-10(15)9-4-6-2-3-7(11(12,13)14)5-8(6)17-9/h2-5H,1H3

Composition: C (50.77%), H (2.71%), F (21.90%), O (12.30%), S (12.32%)

Molar Mass: 260.23

Atom Count: 24

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	260.011885128
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	QHWPUCBUPABCRG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.18
Topological Polar Surface Area	26.3
Polarizability	22.09
Ring Count	2
Rotatable Bond Count	3

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