1-(1-benzothiophen-2-yl)-2-(3-fluorophenyl)ethanone

C16H11FOS — CID 61406420

IUPAC1-(1-benzothiophen-2-yl)-2-(3-fluorophenyl)ethanone
SMILESO=C(Cc1cccc(F)c1)c1cc2ccccc2s1
InChIInChI=1S/C16H11FOS/c17-13-6-3-4-11(8-13)9-14(18)16-10-12-5-1-2-7-15(12)19-16/h1-8,10H,9H2
InChIKeyLOBWKTNPDSSINY-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.47
Rot. Bonds3

About 1-(1-benzothiophen-2-yl)-2-(3-fluorophenyl)ethanone

1-(1-benzothiophen-2-yl)-2-(3-fluorophenyl)ethanone (PubChem CID 61406420) has the molecular formula C16H11FOS and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-2-(3-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-2-(3-fluorophenyl)ethanone
PubChem CID61406420
Molecular FormulaC16H11FOS
Molecular Weight270.33 g/mol
Exact Mass270.05
IUPAC Name1-(1-benzothiophen-2-yl)-2-(3-fluorophenyl)ethanone
SMILESO=C(Cc1cccc(F)c1)c1cc2ccccc2s1
InChIInChI=1S/C16H11FOS/c17-13-6-3-4-11(8-13)9-14(18)16-10-12-5-1-2-7-15(12)19-16/h1-8,10H,9H2
InChIKeyLOBWKTNPDSSINY-UHFFFAOYSA-N
XLogP4.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzothiophen-2-yl)-2-(2-bromo-5-fluorophenyl)ethanone
CID 114968220
2-(3,4-difluorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanone
CID 105124554
1-(1-benzothiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanone
CID 63526814
1-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)ethanone
CID 61078975
1-(1-benzothiophen-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 115800328
1,5-bis(1-benzothiophen-2-yl)pentane-1,5-dione
CID 11850792
1-(6-fluoro-1-benzothiophen-2-yl)-3-phenylpropan-1-one
CID 114962863
2-(4-chlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanone
CID 81104798
[(2R)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 1-benzothiophene-2-carboxylate
CID 8508513
1-(1-benzothiophen-2-yl)-3-(furan-2-yl)propane-1,3-dione
CID 114910186
1-(1-benzothiophen-2-yl)-2-(5-chlorothiophen-2-yl)ethanone
CID 114967597
1-(1-benzothiophen-2-yl)-2-pyridin-2-ylethanone
CID 61407072

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-2-(3-fluorophenyl)ethanone?
The IUPAC name of 1-(1-benzothiophen-2-yl)-2-(3-fluorophenyl)ethanone (CID 61406420) is 1-(1-benzothiophen-2-yl)-2-(3-fluorophenyl)ethanone.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-2-(3-fluorophenyl)ethanone?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-2-(3-fluorophenyl)ethanone is O=C(Cc1cccc(F)c1)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-2-(3-fluorophenyl)ethanone?
The InChIKey is LOBWKTNPDSSINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FOS/c17-13-6-3-4-11(8-13)9-14(18)16-10-12-5-1-2-7-15(12)19-16/h1-8,10H,9H2.
What are the key properties of 1-(1-benzothiophen-2-yl)-2-(3-fluorophenyl)ethanone?
1-(1-benzothiophen-2-yl)-2-(3-fluorophenyl)ethanone has a molecular weight of 270.33 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-2-(3-fluorophenyl)ethanone is sourced from PubChem (CID 61406420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).