1-benzothiophen-7-yl-(2-fluorophenyl)methanone

C15H9FOS — CID 81152936

IUPAC1-benzothiophen-7-yl-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)c1cccc2ccsc12
InChIInChI=1S/C15H9FOS/c16-13-7-2-1-5-11(13)14(17)12-6-3-4-10-8-9-18-15(10)12/h1-9H
InChIKeyMOFANTIPXLKTEM-UHFFFAOYSA-N
MW256.30 g/mol
LogP4.27
Rot. Bonds2

About 1-benzothiophen-7-yl-(2-fluorophenyl)methanone

1-benzothiophen-7-yl-(2-fluorophenyl)methanone (PubChem CID 81152936) has the molecular formula C15H9FOS and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-benzothiophen-7-yl-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name1-benzothiophen-7-yl-(2-fluorophenyl)methanone
PubChem CID81152936
Molecular FormulaC15H9FOS
Molecular Weight256.30 g/mol
Exact Mass256.04
IUPAC Name1-benzothiophen-7-yl-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)c1cccc2ccsc12
InChIInChI=1S/C15H9FOS/c16-13-7-2-1-5-11(13)14(17)12-6-3-4-10-8-9-18-15(10)12/h1-9H
InChIKeyMOFANTIPXLKTEM-UHFFFAOYSA-N
XLogP4.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzothiophen-7-yl-(2,5-difluorophenyl)methanone
CID 81153363
1-benzothiophen-7-yl-(3,4,5-trifluorophenyl)methanone
CID 81153538
1-benzothiophen-7-yl-(3,4-difluorophenyl)methanone
CID 81154298
1-benzothiophen-7-yl-(2,6-dichlorophenyl)methanone
CID 115791052
1-benzothiophen-7-yl-(4-bromophenyl)methanone
CID 81153042
[2-(2-fluorobenzoyl)phenyl]-(2-fluorophenyl)methanone
CID 130332183
1-benzothiophen-7-yl(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
CID 105122147
1-benzothiophen-7-yl-(5-chloro-2-methoxyphenyl)methanone
CID 115791072
1-benzothiophen-7-yl(1,2,5-thiadiazol-3-yl)methanone
CID 105122061
1-(1-benzothiophen-7-yl)-2-methylpropan-1-one
CID 81153250
1-(1-benzothiophen-7-yl)-2-chloroethanone
CID 130948738
bis(2-fluorophenyl)methanone;[2-fluoro-6-(2-fluorobenzoyl)phenyl]-phenylmethanone
CID 130332180

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-7-yl-(2-fluorophenyl)methanone?
The IUPAC name of 1-benzothiophen-7-yl-(2-fluorophenyl)methanone (CID 81152936) is 1-benzothiophen-7-yl-(2-fluorophenyl)methanone.
What is the SMILES notation for 1-benzothiophen-7-yl-(2-fluorophenyl)methanone?
The canonical SMILES for 1-benzothiophen-7-yl-(2-fluorophenyl)methanone is O=C(c1ccccc1F)c1cccc2ccsc12.
What is the InChIKey of 1-benzothiophen-7-yl-(2-fluorophenyl)methanone?
The InChIKey is MOFANTIPXLKTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FOS/c16-13-7-2-1-5-11(13)14(17)12-6-3-4-10-8-9-18-15(10)12/h1-9H.
What are the key properties of 1-benzothiophen-7-yl-(2-fluorophenyl)methanone?
1-benzothiophen-7-yl-(2-fluorophenyl)methanone has a molecular weight of 256.30 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-7-yl-(2-fluorophenyl)methanone is sourced from PubChem (CID 81152936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).