4-[5-(trifluoromethyl)-1-benzothiophene-2-carbonyl]morpholine

4-[5-(trifluoromethyl)-1-benzothiophene-2-carbonyl]morpholine

CAS: 439109-05-4

Formula: C14H12F3NO2S

SMILES: FC(F)(F)C1=CC=C2SC(=CC2=C1)C(=O)N1CCOCC1

IUPAC: 4-[5-(trifluoromethyl)-1-benzothiophene-2-carbonyl]morpholine

InChI: InChI=1S/C14H12F3NO2S/c15-14(16,17)10-1-2-11-9(7-10)8-12(21-11)13(19)18-3-5-20-6-4-18/h1-2,7-8H,3-6H2

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	0.36
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	XPVYNPFQBQCZOS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	73.1
Topological Polar Surface Area	29.54
Polarizability	27.82
Ring Count	3
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	439109-05-4		$51.35-$86.31$51.35$63.37$86.31