1,1,1-trifluoro-4-hydroxy-4-(thiophen-3-yl)but-3-en-2-one

1,1,1-trifluoro-4-hydroxy-4-(thiophen-3-yl)but-3-en-2-one

CAS: 77611-51-9

Formula: C8H5F3O2S

SMILES: OC(=CC(=O)C(F)(F)F)C1=CSC=C1

IUPAC: 1,1,1-trifluoro-4-hydroxy-4-(thiophen-3-yl)but-3-en-2-one

InChI: InChI=1S/C8H5F3O2S/c9-8(10,11)7(13)3-6(12)5-1-2-14-4-5/h1-4,12H

Composition: C (43.25%), H (2.27%), F (25.65%), O (14.40%), S (14.43%)

Molar Mass: 222.18

Atom Count: 19

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	221.996235064
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	AOOJULGDBKRPNM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.62
Topological Polar Surface Area	37.3
Polarizability	16.42
Ring Count	1
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	77611-51-9		$203.90-$298.08$203.90$298.08