methyl 3-(2,2,2-trifluoroacetamido)thiophene-2-carboxylate

methyl 3-(2,2,2-trifluoroacetamido)thiophene-2-carboxylate

CAS: 79128-68-0

Formula: C8H6F3NO3S

SMILES: COC(=O)C1=C(NC(=O)C(F)(F)F)C=CS1

IUPAC: methyl 3-(2,2,2-trifluoroacetamido)thiophene-2-carboxylate

InChI: InChI=1S/C8H6F3NO3S/c1-15-6(13)5-4(2-3-16-5)12-7(14)8(9,10)11/h2-3H,1H3,(H,12,14)

Composition: C (37.95%), H (2.39%), F (22.51%), N (5.53%), O (18.96%), S (12.66%)

Molar Mass: 253.2

Atom Count: 22

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	253.00204872
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	CJNCTQZMIQZVQQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.85
Topological Polar Surface Area	55.4
Polarizability	18.14
Ring Count	1
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	79128-68-0		$7.25-$14.49$7.25$14.49

Struchem co.,ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	79128-68-0		$739.00-$1,385.00$739.00$1,016.00$1,385.00

Chemcia Scientific, LLC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	79128-68-0		$109.25-$220.80$109.25$220.80