2-(4-chlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanone

C16H10ClFOS — CID 81104798

IUPAC2-(4-chlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1)c1cc2ccc(F)cc2s1
InChIInChI=1S/C16H10ClFOS/c17-12-4-1-10(2-5-12)7-14(19)16-8-11-3-6-13(18)9-15(11)20-16/h1-6,8-9H,7H2
InChIKeyFGKKAXBMJSPNGD-UHFFFAOYSA-N
MW304.77 g/mol
LogP5.12
Rot. Bonds3

About 2-(4-chlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanone

2-(4-chlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanone (PubChem CID 81104798) has the molecular formula C16H10ClFOS and a molecular weight of 304.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanone
PubChem CID81104798
Molecular FormulaC16H10ClFOS
Molecular Weight304.77 g/mol
Exact Mass304.01
IUPAC Name2-(4-chlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1)c1cc2ccc(F)cc2s1
InChIInChI=1S/C16H10ClFOS/c17-12-4-1-10(2-5-12)7-14(19)16-8-11-3-6-13(18)9-15(11)20-16/h1-6,8-9H,7H2
InChIKeyFGKKAXBMJSPNGD-UHFFFAOYSA-N
XLogP5.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.77
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-chlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-difluorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanone
CID 105124554
2-(2,4-dichlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanone
CID 105088256
4,4,4-trifluoro-1-(6-fluoro-1-benzothiophen-2-yl)butan-1-one
CID 114976566
2-(4-chlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone
CID 80745581
1-(6-fluoro-1-benzothiophen-2-yl)-3-phenylpropan-1-one
CID 114962863
1-(1-benzothiophen-2-yl)-2-(3-fluorophenyl)ethanone
CID 61406420
2-cyclopentyl-1-(6-fluoro-1-benzothiophen-2-yl)ethanone
CID 114969325
1-(6-fluoro-1-benzothiophen-2-yl)-2-methylbutan-1-one
CID 115788013
(2,5-dichlorothiophen-3-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone
CID 81104851
N-(4-chloro-2-pyridinyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 115627252
1-(6-fluoro-1-benzothiophen-2-yl)prop-2-yn-1-one
CID 114978567
2-[5-(chloromethyl)tetrazol-2-yl]-1-(6-fluoro-1-benzothiophen-2-yl)ethanone
CID 162510477

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanone (CID 81104798) is 2-(4-chlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanone is O=C(Cc1ccc(Cl)cc1)c1cc2ccc(F)cc2s1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanone?
The InChIKey is FGKKAXBMJSPNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFOS/c17-12-4-1-10(2-5-12)7-14(19)16-8-11-3-6-13(18)9-15(11)20-16/h1-6,8-9H,7H2.
What are the key properties of 2-(4-chlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanone?
2-(4-chlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanone has a molecular weight of 304.77 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanone is sourced from PubChem (CID 81104798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).