7-fluoro-2-methyl-2,3-dihydro-1-benzothiophene-3-carboxylic acid

C10H9FO2S — CID 83909743

IUPAC7-fluoro-2-methyl-2,3-dihydro-1-benzothiophene-3-carboxylic acid
SMILESCC1Sc2c(F)cccc2C1C(=O)O
InChIInChI=1S/C10H9FO2S/c1-5-8(10(12)13)6-3-2-4-7(11)9(6)14-5/h2-5,8H,1H3,(H,12,13)
InChIKeyRHQIIVJAMQDQQH-UHFFFAOYSA-N
MW212.24 g/mol
LogP2.49
Rot. Bonds1

About 7-fluoro-2-methyl-2,3-dihydro-1-benzothiophene-3-carboxylic acid

7-fluoro-2-methyl-2,3-dihydro-1-benzothiophene-3-carboxylic acid (PubChem CID 83909743) has the molecular formula C10H9FO2S and a molecular weight of 212.24 g/mol. Its IUPAC name is 7-fluoro-2-methyl-2,3-dihydro-1-benzothiophene-3-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-2-methyl-2,3-dihydro-1-benzothiophene-3-carboxylic acid
PubChem CID83909743
Molecular FormulaC10H9FO2S
Molecular Weight212.24 g/mol
Exact Mass212.03
IUPAC Name7-fluoro-2-methyl-2,3-dihydro-1-benzothiophene-3-carboxylic acid
SMILESCC1Sc2c(F)cccc2C1C(=O)O
InChIInChI=1S/C10H9FO2S/c1-5-8(10(12)13)6-3-2-4-7(11)9(6)14-5/h2-5,8H,1H3,(H,12,13)
InChIKeyRHQIIVJAMQDQQH-UHFFFAOYSA-N
XLogP2.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methyl-2,3-dihydro-1-benzothiophene-3-carboxylic acid?
The IUPAC name of 7-fluoro-2-methyl-2,3-dihydro-1-benzothiophene-3-carboxylic acid (CID 83909743) is 7-fluoro-2-methyl-2,3-dihydro-1-benzothiophene-3-carboxylic acid.
What is the SMILES notation for 7-fluoro-2-methyl-2,3-dihydro-1-benzothiophene-3-carboxylic acid?
The canonical SMILES for 7-fluoro-2-methyl-2,3-dihydro-1-benzothiophene-3-carboxylic acid is CC1Sc2c(F)cccc2C1C(=O)O.
What is the InChIKey of 7-fluoro-2-methyl-2,3-dihydro-1-benzothiophene-3-carboxylic acid?
The InChIKey is RHQIIVJAMQDQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO2S/c1-5-8(10(12)13)6-3-2-4-7(11)9(6)14-5/h2-5,8H,1H3,(H,12,13).
What are the key properties of 7-fluoro-2-methyl-2,3-dihydro-1-benzothiophene-3-carboxylic acid?
7-fluoro-2-methyl-2,3-dihydro-1-benzothiophene-3-carboxylic acid has a molecular weight of 212.24 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methyl-2,3-dihydro-1-benzothiophene-3-carboxylic acid is sourced from PubChem (CID 83909743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).