2-(2,4-dichlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanone

C16H9Cl2FOS — CID 105088256

IUPAC2-(2,4-dichlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1Cl)c1cc2cc(F)ccc2s1
InChIInChI=1S/C16H9Cl2FOS/c17-11-2-1-9(13(18)8-11)6-14(20)16-7-10-5-12(19)3-4-15(10)21-16/h1-5,7-8H,6H2
InChIKeyZVACZCGOJNPXJN-UHFFFAOYSA-N
MW339.22 g/mol
LogP5.77
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanone

2-(2,4-dichlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanone (PubChem CID 105088256) has the molecular formula C16H9Cl2FOS and a molecular weight of 339.22 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanone
PubChem CID105088256
Molecular FormulaC16H9Cl2FOS
Molecular Weight339.22 g/mol
Exact Mass337.97
IUPAC Name2-(2,4-dichlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1Cl)c1cc2cc(F)ccc2s1
InChIInChI=1S/C16H9Cl2FOS/c17-11-2-1-9(13(18)8-11)6-14(20)16-7-10-5-12(19)3-4-15(10)21-16/h1-5,7-8H,6H2
InChIKeyZVACZCGOJNPXJN-UHFFFAOYSA-N
XLogP5.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.22
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanone
CID 105124554
2-(2,4-dichlorophenyl)-1-(2,5-difluorophenyl)ethanone
CID 62802262
2-(4-chlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanone
CID 81104798
1-(5-fluoro-1-benzothiophen-2-yl)but-3-yn-1-one
CID 105076300
2-(2,4-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanone
CID 114967197
1-(1-benzothiophen-2-yl)-2-(2-bromo-5-fluorophenyl)ethanone
CID 114968220
1-(1-benzothiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanone
CID 63526814
2-cyclobutyl-1-(5-fluoro-1-benzothiophen-2-yl)ethanone
CID 105102770
1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 114025529
1-(5-fluoro-1-benzothiophen-2-yl)hex-5-yn-1-one
CID 105127502
2-(2,5-difluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone
CID 114964004
1-(1-benzothiophen-2-yl)-2-(3-fluorophenyl)ethanone
CID 61406420

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanone?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanone (CID 105088256) is 2-(2,4-dichlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanone.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanone?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanone is O=C(Cc1ccc(Cl)cc1Cl)c1cc2cc(F)ccc2s1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanone?
The InChIKey is ZVACZCGOJNPXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2FOS/c17-11-2-1-9(13(18)8-11)6-14(20)16-7-10-5-12(19)3-4-15(10)21-16/h1-5,7-8H,6H2.
What are the key properties of 2-(2,4-dichlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanone?
2-(2,4-dichlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanone has a molecular weight of 339.22 g/mol, XLogP of 5.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanone is sourced from PubChem (CID 105088256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).