2-(2,4-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanone

C16H12F2OS — CID 105085086

IUPAC2-(2,4-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanone
SMILESO=C(Cc1ccc(F)cc1F)C1CSc2ccccc21
InChIInChI=1S/C16H12F2OS/c17-11-6-5-10(14(18)8-11)7-15(19)13-9-20-16-4-2-1-3-12(13)16/h1-6,8,13H,7,9H2
InChIKeyBEXRPWYRGQIONS-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.97
Rot. Bonds3

About 2-(2,4-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanone

2-(2,4-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanone (PubChem CID 105085086) has the molecular formula C16H12F2OS and a molecular weight of 290.33 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanone.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanone
PubChem CID105085086
Molecular FormulaC16H12F2OS
Molecular Weight290.33 g/mol
Exact Mass290.06
IUPAC Name2-(2,4-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanone
SMILESO=C(Cc1ccc(F)cc1F)C1CSc2ccccc21
InChIInChI=1S/C16H12F2OS/c17-11-6-5-10(14(18)8-11)7-15(19)13-9-20-16-4-2-1-3-12(13)16/h1-6,8,13H,7,9H2
InChIKeyBEXRPWYRGQIONS-UHFFFAOYSA-N
XLogP3.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanone
CID 102865723
2-(2,4-difluorophenyl)-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)ethanone
CID 116573426
N-[(2,4-difluorophenyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine
CID 78993268
N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 78993536
1-(2,3-dihydro-1-benzothiophen-3-yl)-2-pyridin-2-ylethanone
CID 105108004
N-[(2,4-difluorophenyl)methyl]-1-(2,3-dihydro-1-benzothiophen-3-yl)methanamine
CID 79220853
(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
1-cyclopropyl-2-(2,4-difluorophenyl)ethanone
CID 23138773
2,3-dihydro-1-benzothiophene-3-carboxylic acid
CID 54594261
1-(2,3-dihydro-1-benzothiophen-3-yl)undecan-1-one
CID 105091464
1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 105108733

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanone?
The IUPAC name of 2-(2,4-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanone (CID 105085086) is 2-(2,4-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanone.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanone?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanone is O=C(Cc1ccc(F)cc1F)C1CSc2ccccc21.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanone?
The InChIKey is BEXRPWYRGQIONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2OS/c17-11-6-5-10(14(18)8-11)7-15(19)13-9-20-16-4-2-1-3-12(13)16/h1-6,8,13H,7,9H2.
What are the key properties of 2-(2,4-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanone?
2-(2,4-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanone has a molecular weight of 290.33 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanone is sourced from PubChem (CID 105085086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).