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

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

CAS: 76629-94-2

Formula: C8H6F2O2S

SMILES: OC(=CC(=O)C(F)F)C1=CC=CS1

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

InChI: InChI=1S/C8H6F2O2S/c9-8(10)6(12)4-5(11)7-2-1-3-13-7/h1-4,8,11H

Composition: C (47.06%), H (2.96%), F (18.61%), O (15.67%), S (15.70%)

Molar Mass: 204.19

Atom Count: 19

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	204.005656933
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	LGTNMOVJMYILMO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.53
Topological Polar Surface Area	37.3
Polarizability	16.49
Ring Count	1
Rotatable Bond Count	3

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