2-(3,4-difluorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanone

C16H9F3OS — CID 105124554

IUPAC2-(3,4-difluorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanone
SMILESO=C(Cc1ccc(F)c(F)c1)c1cc2cc(F)ccc2s1
InChIInChI=1S/C16H9F3OS/c17-11-2-4-15-10(7-11)8-16(21-15)14(20)6-9-1-3-12(18)13(19)5-9/h1-5,7-8H,6H2
InChIKeyZVPSSWRJRXMGIU-UHFFFAOYSA-N
MW306.31 g/mol
LogP4.74
Rot. Bonds3

About 2-(3,4-difluorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanone

2-(3,4-difluorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanone (PubChem CID 105124554) has the molecular formula C16H9F3OS and a molecular weight of 306.31 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanone
PubChem CID105124554
Molecular FormulaC16H9F3OS
Molecular Weight306.31 g/mol
Exact Mass306.03
IUPAC Name2-(3,4-difluorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanone
SMILESO=C(Cc1ccc(F)c(F)c1)c1cc2cc(F)ccc2s1
InChIInChI=1S/C16H9F3OS/c17-11-2-4-15-10(7-11)8-16(21-15)14(20)6-9-1-3-12(18)13(19)5-9/h1-5,7-8H,6H2
InChIKeyZVPSSWRJRXMGIU-UHFFFAOYSA-N
XLogP4.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanone
CID 105088256
2-(4-chlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanone
CID 81104798
1-(1-benzothiophen-2-yl)-2-(3-fluorophenyl)ethanone
CID 61406420
1-(5-fluoro-1-benzothiophen-2-yl)but-3-yn-1-one
CID 105076300
2-cyclobutyl-1-(5-fluoro-1-benzothiophen-2-yl)ethanone
CID 105102770
1-(5-fluoro-1-benzothiophen-2-yl)hex-5-yn-1-one
CID 105127502
ethyl 5-fluoro-1-benzothiophene-2-carboxylate
CID 23261724
5-fluoro-N-methyl-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 9396355
5-fluoro-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 27259768
1-(5-fluoro-1-benzothiophen-2-yl)-2-methylpentan-1-one
CID 107891211
2-(2,5-difluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone
CID 114964004
5-fluoro-N-prop-2-ynyl-1-benzothiophene-2-carboxamide
CID 18110082

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanone?
The IUPAC name of 2-(3,4-difluorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanone (CID 105124554) is 2-(3,4-difluorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanone.
What is the SMILES notation for 2-(3,4-difluorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanone?
The canonical SMILES for 2-(3,4-difluorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanone is O=C(Cc1ccc(F)c(F)c1)c1cc2cc(F)ccc2s1.
What is the InChIKey of 2-(3,4-difluorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanone?
The InChIKey is ZVPSSWRJRXMGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3OS/c17-11-2-4-15-10(7-11)8-16(21-15)14(20)6-9-1-3-12(18)13(19)5-9/h1-5,7-8H,6H2.
What are the key properties of 2-(3,4-difluorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanone?
2-(3,4-difluorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanone has a molecular weight of 306.31 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanone is sourced from PubChem (CID 105124554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).