1-(5-fluoro-2,3-dihydro-1-benzothiophen-2-yl)propan-2-one

C11H11FOS — CID 117200980

IUPAC1-(5-fluoro-2,3-dihydro-1-benzothiophen-2-yl)propan-2-one
SMILESCC(=O)CC1Cc2cc(F)ccc2S1
InChIInChI=1S/C11H11FOS/c1-7(13)4-10-6-8-5-9(12)2-3-11(8)14-10/h2-3,5,10H,4,6H2,1H3
InChIKeyWYOMUPYMLDLOQO-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.82
Rot. Bonds2

About 1-(5-fluoro-2,3-dihydro-1-benzothiophen-2-yl)propan-2-one

1-(5-fluoro-2,3-dihydro-1-benzothiophen-2-yl)propan-2-one (PubChem CID 117200980) has the molecular formula C11H11FOS and a molecular weight of 210.27 g/mol. Its IUPAC name is 1-(5-fluoro-2,3-dihydro-1-benzothiophen-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(5-fluoro-2,3-dihydro-1-benzothiophen-2-yl)propan-2-one
PubChem CID117200980
Molecular FormulaC11H11FOS
Molecular Weight210.27 g/mol
Exact Mass210.05
IUPAC Name1-(5-fluoro-2,3-dihydro-1-benzothiophen-2-yl)propan-2-one
SMILESCC(=O)CC1Cc2cc(F)ccc2S1
InChIInChI=1S/C11H11FOS/c1-7(13)4-10-6-8-5-9(12)2-3-11(8)14-10/h2-3,5,10H,4,6H2,1H3
InChIKeyWYOMUPYMLDLOQO-UHFFFAOYSA-N
XLogP2.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol
CID 117200974
3-(5-hydroxy-2,3-dihydro-1-benzothiophen-2-yl)propanoic acid
CID 117201392
ethane;2-ethyl-5-methyl-2,3-dihydro-1-benzothiophene
CID 142072053
2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)acetic acid
CID 82401388
1-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)propan-1-one
CID 83985409
6-fluoro-2,3-dihydro-1-benzothiophene-2-carboxylic acid
CID 53275997
1-(6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)-N-methylmethanamine
CID 19982156
2-(6-fluoro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)acetic acid
CID 83911265
2-ethyl-N-methyl-2,3-dihydro-1-benzothiophen-5-amine
CID 18740924
N-[4-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)phenyl]acetamide
CID 79212993
3-(3-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-3-oxopropanoic acid
CID 139765749
2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-2-methylpropanal
CID 105458982

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2,3-dihydro-1-benzothiophen-2-yl)propan-2-one?
The IUPAC name of 1-(5-fluoro-2,3-dihydro-1-benzothiophen-2-yl)propan-2-one (CID 117200980) is 1-(5-fluoro-2,3-dihydro-1-benzothiophen-2-yl)propan-2-one.
What is the SMILES notation for 1-(5-fluoro-2,3-dihydro-1-benzothiophen-2-yl)propan-2-one?
The canonical SMILES for 1-(5-fluoro-2,3-dihydro-1-benzothiophen-2-yl)propan-2-one is CC(=O)CC1Cc2cc(F)ccc2S1.
What is the InChIKey of 1-(5-fluoro-2,3-dihydro-1-benzothiophen-2-yl)propan-2-one?
The InChIKey is WYOMUPYMLDLOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FOS/c1-7(13)4-10-6-8-5-9(12)2-3-11(8)14-10/h2-3,5,10H,4,6H2,1H3.
What are the key properties of 1-(5-fluoro-2,3-dihydro-1-benzothiophen-2-yl)propan-2-one?
1-(5-fluoro-2,3-dihydro-1-benzothiophen-2-yl)propan-2-one has a molecular weight of 210.27 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2,3-dihydro-1-benzothiophen-2-yl)propan-2-one is sourced from PubChem (CID 117200980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).