2-(3-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanone

C16H12ClFOS — CID 102865723

IUPAC2-(3-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanone
SMILESO=C(Cc1cccc(Cl)c1F)C1CSc2ccccc21
InChIInChI=1S/C16H12ClFOS/c17-13-6-3-4-10(16(13)18)8-14(19)12-9-20-15-7-2-1-5-11(12)15/h1-7,12H,8-9H2
InChIKeyCTKJTHRFQZJYNF-UHFFFAOYSA-N
MW306.79 g/mol
LogP4.48
Rot. Bonds3

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

2-(3-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanone (PubChem CID 102865723) has the molecular formula C16H12ClFOS and a molecular weight of 306.79 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanone.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanone
PubChem CID102865723
Molecular FormulaC16H12ClFOS
Molecular Weight306.79 g/mol
Exact Mass306.03
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanone
SMILESO=C(Cc1cccc(Cl)c1F)C1CSc2ccccc21
InChIInChI=1S/C16H12ClFOS/c17-13-6-3-4-10(16(13)18)8-14(19)12-9-20-15-7-2-1-5-11(12)15/h1-7,12H,8-9H2
InChIKeyCTKJTHRFQZJYNF-UHFFFAOYSA-N
XLogP4.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanone
CID 105085086
2-(3-chloro-2-fluorophenyl)-1-cyclohexylethanone
CID 82802271
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-2-fluorophenyl)ethanone
CID 102865627
1-(2,3-dihydro-1-benzothiophen-3-yl)-2-pyridin-2-ylethanone
CID 105108004
[2-(3-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethyl]hydrazine
CID 102868730
(2,6-difluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone
CID 105100893
1-(2,3-dihydro-1-benzothiophen-3-yl)pentan-1-one
CID 105086614
2-(3-chloro-2-fluorophenyl)-1-(2-cyclobutylphenyl)ethanone
CID 114602079
N-[2-(chloromethyl)phenyl]-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 114298085
2,3-dihydro-1-benzothiophene-3-carboxylic acid
CID 54594261
2,3-dihydro-1-benzothiophene-3-carboxamide
CID 78993611
2-(3-chloro-2-fluorophenyl)acetamide
CID 91291585

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanone?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanone (CID 102865723) is 2-(3-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanone.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanone?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanone is O=C(Cc1cccc(Cl)c1F)C1CSc2ccccc21.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanone?
The InChIKey is CTKJTHRFQZJYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFOS/c17-13-6-3-4-10(16(13)18)8-14(19)12-9-20-15-7-2-1-5-11(12)15/h1-7,12H,8-9H2.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanone?
2-(3-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanone has a molecular weight of 306.79 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanone is sourced from PubChem (CID 102865723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).