2-(1-benzothiophen-3-yl)-1-(2-chloro-4-fluorophenyl)ethanone

C16H10ClFOS — CID 63738108

IUPAC2-(1-benzothiophen-3-yl)-1-(2-chloro-4-fluorophenyl)ethanone
SMILESO=C(Cc1csc2ccccc12)c1ccc(F)cc1Cl
InChIInChI=1S/C16H10ClFOS/c17-14-8-11(18)5-6-13(14)15(19)7-10-9-20-16-4-2-1-3-12(10)16/h1-6,8-9H,7H2
InChIKeyDLDVYXOBILJAJO-UHFFFAOYSA-N
MW304.77 g/mol
LogP5.12
Rot. Bonds3

About 2-(1-benzothiophen-3-yl)-1-(2-chloro-4-fluorophenyl)ethanone

2-(1-benzothiophen-3-yl)-1-(2-chloro-4-fluorophenyl)ethanone (PubChem CID 63738108) has the molecular formula C16H10ClFOS and a molecular weight of 304.77 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-1-(2-chloro-4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-1-(2-chloro-4-fluorophenyl)ethanone
PubChem CID63738108
Molecular FormulaC16H10ClFOS
Molecular Weight304.77 g/mol
Exact Mass304.01
IUPAC Name2-(1-benzothiophen-3-yl)-1-(2-chloro-4-fluorophenyl)ethanone
SMILESO=C(Cc1csc2ccccc12)c1ccc(F)cc1Cl
InChIInChI=1S/C16H10ClFOS/c17-14-8-11(18)5-6-13(14)15(19)7-10-9-20-16-4-2-1-3-12(10)16/h1-6,8-9H,7H2
InChIKeyDLDVYXOBILJAJO-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

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Related Compounds

1-(1-benzothiophen-3-yl)-3-(2-chloro-4-fluorophenyl)propan-2-one
CID 63738285
2-(1-benzothiophen-3-yl)-1-(2,3,4-trifluorophenyl)ethanone
CID 114965639
2-(1-benzothiophen-3-yl)-1-(3-chloro-4-fluorophenyl)ethanone
CID 63738642
1-(1-benzothiophen-3-yl)-3-(2,4-difluorophenyl)propan-2-one
CID 64559645
2-(1-benzothiophen-3-yl)-1-(3,4-dichlorophenyl)ethanone
CID 81491388
2-(1-benzothiophen-3-yl)-1-(2-fluoro-4-methoxyphenyl)ethanone
CID 81299144
1-(2-chloro-4-fluorophenyl)-2-(2,5-difluorophenyl)ethanone
CID 62945008
2-(1-benzothiophen-3-yl)-1-(2-chloro-3-methylphenyl)ethanone
CID 114965661
2-(1-benzothiophen-3-yl)-1-(2-bromo-4-methylphenyl)ethanone
CID 114965658
N-[2-(1-benzothiophen-3-yl)ethyl]-2-chloro-4,5-difluorobenzamide
CID 87005686
2-(1-benzothiophen-3-yl)-1-(2-methyl-3-pyridinyl)ethanone
CID 105085021
1-(2-chloro-4-fluorophenyl)-2-(4-ethylphenyl)ethanone
CID 63410277

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-1-(2-chloro-4-fluorophenyl)ethanone?
The IUPAC name of 2-(1-benzothiophen-3-yl)-1-(2-chloro-4-fluorophenyl)ethanone (CID 63738108) is 2-(1-benzothiophen-3-yl)-1-(2-chloro-4-fluorophenyl)ethanone.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-1-(2-chloro-4-fluorophenyl)ethanone?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-1-(2-chloro-4-fluorophenyl)ethanone is O=C(Cc1csc2ccccc12)c1ccc(F)cc1Cl.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-1-(2-chloro-4-fluorophenyl)ethanone?
The InChIKey is DLDVYXOBILJAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFOS/c17-14-8-11(18)5-6-13(14)15(19)7-10-9-20-16-4-2-1-3-12(10)16/h1-6,8-9H,7H2.
What are the key properties of 2-(1-benzothiophen-3-yl)-1-(2-chloro-4-fluorophenyl)ethanone?
2-(1-benzothiophen-3-yl)-1-(2-chloro-4-fluorophenyl)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-(1-benzothiophen-3-yl)-1-(2-chloro-4-fluorophenyl)ethanone is sourced from PubChem (CID 63738108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).