2-(6-fluoro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)acetic acid

C11H11FO2S — CID 83911265

IUPAC2-(6-fluoro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)acetic acid
SMILESCC1Sc2cc(F)ccc2C1CC(=O)O
InChIInChI=1S/C11H11FO2S/c1-6-9(5-11(13)14)8-3-2-7(12)4-10(8)15-6/h2-4,6,9H,5H2,1H3,(H,13,14)
InChIKeyRXZSRIOQAVOHJZ-UHFFFAOYSA-N
MW226.27 g/mol
LogP2.88
Rot. Bonds2

About 2-(6-fluoro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)acetic acid

2-(6-fluoro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)acetic acid (PubChem CID 83911265) has the molecular formula C11H11FO2S and a molecular weight of 226.27 g/mol. Its IUPAC name is 2-(6-fluoro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)acetic acid.

Molecular Properties

Compound Name2-(6-fluoro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)acetic acid
PubChem CID83911265
Molecular FormulaC11H11FO2S
Molecular Weight226.27 g/mol
Exact Mass226.05
IUPAC Name2-(6-fluoro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)acetic acid
SMILESCC1Sc2cc(F)ccc2C1CC(=O)O
InChIInChI=1S/C11H11FO2S/c1-6-9(5-11(13)14)8-3-2-7(12)4-10(8)15-6/h2-4,6,9H,5H2,1H3,(H,13,14)
InChIKeyRXZSRIOQAVOHJZ-UHFFFAOYSA-N
XLogP2.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7-chloro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)acetic acid
CID 83912755
3-fluoro-9H-thioxanthene-9-carboxylic acid
CID 139927368
6-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057049
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-(5-fluoro-2,3-dihydro-1-benzothiophen-2-yl)propan-2-one
CID 117200980
2-(2-fluoro-5,6-dimethyl-9H-fluoren-9-yl)acetic acid
CID 82579030
3-(3-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-3-oxopropanoic acid
CID 139765749
2-[(3R)-7-fluoro-3,4-dihydro-2H-1,2-benzoxazin-3-yl]acetic acid
CID 118627447
2-[(2S)-6-fluoro-3-oxo-1,2-dihydroinden-2-yl]acetic acid
CID 93492412
3-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)propanoic acid
CID 83985117

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)acetic acid?
The IUPAC name of 2-(6-fluoro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)acetic acid (CID 83911265) is 2-(6-fluoro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)acetic acid.
What is the SMILES notation for 2-(6-fluoro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)acetic acid?
The canonical SMILES for 2-(6-fluoro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)acetic acid is CC1Sc2cc(F)ccc2C1CC(=O)O.
What is the InChIKey of 2-(6-fluoro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)acetic acid?
The InChIKey is RXZSRIOQAVOHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO2S/c1-6-9(5-11(13)14)8-3-2-7(12)4-10(8)15-6/h2-4,6,9H,5H2,1H3,(H,13,14).
What are the key properties of 2-(6-fluoro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)acetic acid?
2-(6-fluoro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)acetic acid has a molecular weight of 226.27 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)acetic acid is sourced from PubChem (CID 83911265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).