1-(1-benzothiophen-2-yl)-2-chloro-2-(4-fluorophenyl)ethanone

C16H10ClFOS — CID 81242363

IUPAC1-(1-benzothiophen-2-yl)-2-chloro-2-(4-fluorophenyl)ethanone
SMILESO=C(c1cc2ccccc2s1)C(Cl)c1ccc(F)cc1
InChIInChI=1S/C16H10ClFOS/c17-15(10-5-7-12(18)8-6-10)16(19)14-9-11-3-1-2-4-13(11)20-14/h1-9,15H
InChIKeyQCJGCEUWCBETCD-UHFFFAOYSA-N
MW304.77 g/mol
LogP5.20
Rot. Bonds3

About 1-(1-benzothiophen-2-yl)-2-chloro-2-(4-fluorophenyl)ethanone

1-(1-benzothiophen-2-yl)-2-chloro-2-(4-fluorophenyl)ethanone (PubChem CID 81242363) has the molecular formula C16H10ClFOS and a molecular weight of 304.77 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-2-chloro-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-2-chloro-2-(4-fluorophenyl)ethanone
PubChem CID81242363
Molecular FormulaC16H10ClFOS
Molecular Weight304.77 g/mol
Exact Mass304.01
IUPAC Name1-(1-benzothiophen-2-yl)-2-chloro-2-(4-fluorophenyl)ethanone
SMILESO=C(c1cc2ccccc2s1)C(Cl)c1ccc(F)cc1
InChIInChI=1S/C16H10ClFOS/c17-15(10-5-7-12(18)8-6-10)16(19)14-9-11-3-1-2-4-13(11)20-14/h1-9,15H
InChIKeyQCJGCEUWCBETCD-UHFFFAOYSA-N
XLogP5.20
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 ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(1-benzothiophen-2-yl)-2-chloro-2-phenylethanone
CID 81236241
1-(1-benzothiophen-2-yl)-2,2-dichloroethanone
CID 141104208
2-chloro-2-(4-fluorophenyl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanone
CID 81237876
2-chloro-2-(4-fluorophenyl)-1-thiophen-2-ylethanone
CID 81242371
1-(1-benzothiophen-2-yl)-2-bromopropan-1-one
CID 142706834
bis(1-benzothiophen-2-yl)methanone
CID 5330534
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 1-benzothiophene-2-carboxylate
CID 8508380
[5-(1-benzothiophene-2-carbonyl)thiophen-2-yl]-(1-benzothiophen-2-yl)methanone
CID 58875873
N-[1-(3,4-difluorophenyl)ethyl]-1-benzothiophene-2-carboxamide
CID 134049414
1-(1-benzothiophen-2-yl)-2-(2-bromo-5-fluorophenyl)ethanone
CID 114968220
1-benzothiophen-2-yl(phenyl)methanone
CID 3842890
N-but-3-yn-2-yl-1-benzothiophene-2-carboxamide
CID 114389678

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-2-chloro-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-(1-benzothiophen-2-yl)-2-chloro-2-(4-fluorophenyl)ethanone (CID 81242363) is 1-(1-benzothiophen-2-yl)-2-chloro-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-2-chloro-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-2-chloro-2-(4-fluorophenyl)ethanone is O=C(c1cc2ccccc2s1)C(Cl)c1ccc(F)cc1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-2-chloro-2-(4-fluorophenyl)ethanone?
The InChIKey is QCJGCEUWCBETCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFOS/c17-15(10-5-7-12(18)8-6-10)16(19)14-9-11-3-1-2-4-13(11)20-14/h1-9,15H.
What are the key properties of 1-(1-benzothiophen-2-yl)-2-chloro-2-(4-fluorophenyl)ethanone?
1-(1-benzothiophen-2-yl)-2-chloro-2-(4-fluorophenyl)ethanone has a molecular weight of 304.77 g/mol, XLogP of 5.20, 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-chloro-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 81242363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).