1-(2,4-difluorophenyl)-2-thiophen-2-ylsulfinylethanone

C12H8F2O2S2 — CID 64639086

IUPAC1-(2,4-difluorophenyl)-2-thiophen-2-ylsulfinylethanone
SMILESO=C(CS(=O)c1cccs1)c1ccc(F)cc1F
InChIInChI=1S/C12H8F2O2S2/c13-8-3-4-9(10(14)6-8)11(15)7-18(16)12-2-1-5-17-12/h1-6H,7H2
InChIKeyFZHFMHJHLGIGFU-UHFFFAOYSA-N
MW286.32 g/mol
LogP3.02
Rot. Bonds4

About 1-(2,4-difluorophenyl)-2-thiophen-2-ylsulfinylethanone

1-(2,4-difluorophenyl)-2-thiophen-2-ylsulfinylethanone (PubChem CID 64639086) has the molecular formula C12H8F2O2S2 and a molecular weight of 286.32 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-thiophen-2-ylsulfinylethanone.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-thiophen-2-ylsulfinylethanone
PubChem CID64639086
Molecular FormulaC12H8F2O2S2
Molecular Weight286.32 g/mol
Exact Mass285.99
IUPAC Name1-(2,4-difluorophenyl)-2-thiophen-2-ylsulfinylethanone
SMILESO=C(CS(=O)c1cccs1)c1ccc(F)cc1F
InChIInChI=1S/C12H8F2O2S2/c13-8-3-4-9(10(14)6-8)11(15)7-18(16)12-2-1-5-17-12/h1-6H,7H2
InChIKeyFZHFMHJHLGIGFU-UHFFFAOYSA-N
XLogP3.02
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-3-thiophen-2-ylpropan-1-one
CID 63773682
1-(2,5-dimethylthiophen-3-yl)-2-thiophen-2-ylsulfinylethanone
CID 64640088
N-(2-amino-5-fluorophenyl)-2-thiophen-2-ylsulfinylacetamide
CID 61304641
(2,4-difluorophenyl)-thiophen-2-ylmethanone
CID 43160742
1-(2,4-difluorophenyl)-2-propylsulfinylethanone
CID 64639884
1-(2-methoxy-4-methylphenyl)-2-thiophen-2-ylsulfinylethanone
CID 64640483
N-[2-[(2,4-difluorobenzoyl)amino]ethyl]thiophene-2-carboxamide
CID 108573971
2-bromo-1-(2,4-difluorophenyl)ethanone
CID 2774185
1-(2,4-difluorophenyl)-2-(2-fluorophenyl)ethanone
CID 43337688
2-[(2,4-difluorobenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 115283875
[4-fluoro-2-(thiophen-2-ylsulfinylmethyl)phenyl]methanamine
CID 81329556
1-(4-bromo-2-fluorophenyl)-2-thiophen-2-ylethanone
CID 61056501

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-thiophen-2-ylsulfinylethanone?
The IUPAC name of 1-(2,4-difluorophenyl)-2-thiophen-2-ylsulfinylethanone (CID 64639086) is 1-(2,4-difluorophenyl)-2-thiophen-2-ylsulfinylethanone.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-thiophen-2-ylsulfinylethanone?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-thiophen-2-ylsulfinylethanone is O=C(CS(=O)c1cccs1)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-thiophen-2-ylsulfinylethanone?
The InChIKey is FZHFMHJHLGIGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2O2S2/c13-8-3-4-9(10(14)6-8)11(15)7-18(16)12-2-1-5-17-12/h1-6H,7H2.
What are the key properties of 1-(2,4-difluorophenyl)-2-thiophen-2-ylsulfinylethanone?
1-(2,4-difluorophenyl)-2-thiophen-2-ylsulfinylethanone has a molecular weight of 286.32 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-thiophen-2-ylsulfinylethanone is sourced from PubChem (CID 64639086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).