8-fluoro-3,4-dihydro-2H-thiochromene-3-carboxylic acid

C10H9FO2S — CID 19982162

IUPAC8-fluoro-3,4-dihydro-2H-thiochromene-3-carboxylic acid
SMILESO=C(O)C1CSc2c(F)cccc2C1
InChIInChI=1S/C10H9FO2S/c11-8-3-1-2-6-4-7(10(12)13)5-14-9(6)8/h1-3,7H,4-5H2,(H,12,13)
InChIKeyAIBABWDWAXDVAR-UHFFFAOYSA-N
MW212.24 g/mol
LogP2.17
Rot. Bonds1

About 8-fluoro-3,4-dihydro-2H-thiochromene-3-carboxylic acid

8-fluoro-3,4-dihydro-2H-thiochromene-3-carboxylic acid (PubChem CID 19982162) has the molecular formula C10H9FO2S and a molecular weight of 212.24 g/mol. Its IUPAC name is 8-fluoro-3,4-dihydro-2H-thiochromene-3-carboxylic acid.

Molecular Properties

Compound Name8-fluoro-3,4-dihydro-2H-thiochromene-3-carboxylic acid
PubChem CID19982162
Molecular FormulaC10H9FO2S
Molecular Weight212.24 g/mol
Exact Mass212.03
IUPAC Name8-fluoro-3,4-dihydro-2H-thiochromene-3-carboxylic acid
SMILESO=C(O)C1CSc2c(F)cccc2C1
InChIInChI=1S/C10H9FO2S/c11-8-3-1-2-6-4-7(10(12)13)5-14-9(6)8/h1-3,7H,4-5H2,(H,12,13)
InChIKeyAIBABWDWAXDVAR-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(8-fluoro-3,4-dihydro-2H-thiochromen-3-yl) hydrogen carbonate
CID 67795191
(3R)-8-fluoro-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 96622835
9-hydroxy-2,3,4,5-tetrahydro-1-benzothiepine-4-carboxylic acid
CID 82391818
9-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepine-4-carboxylic acid
CID 82395177
1-(8-fluoro-3,4-dihydro-2H-thiochromen-3-yl)-N,N-dimethylmethanamine;hydrochloride
CID 19982165
disodium;2,3-dihydro-1H-indene-2-carboxylic acid;hydride
CID 173251406
9-methoxy-2,3,4,5-tetrahydro-1-benzothiepine-4-carboxylic acid
CID 82388638
5-(2,6-difluorophenyl)pyrrolidine-3-carboxylic acid
CID 117326291
4-amino-2,3-dihydro-1H-indene-2-carboxylic acid
CID 18330772
7-fluoro-3H-1-benzothiophen-2-one
CID 82374189
1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride
CID 67808987
4-[(2,6-difluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60809042

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3,4-dihydro-2H-thiochromene-3-carboxylic acid?
The IUPAC name of 8-fluoro-3,4-dihydro-2H-thiochromene-3-carboxylic acid (CID 19982162) is 8-fluoro-3,4-dihydro-2H-thiochromene-3-carboxylic acid.
What is the SMILES notation for 8-fluoro-3,4-dihydro-2H-thiochromene-3-carboxylic acid?
The canonical SMILES for 8-fluoro-3,4-dihydro-2H-thiochromene-3-carboxylic acid is O=C(O)C1CSc2c(F)cccc2C1.
What is the InChIKey of 8-fluoro-3,4-dihydro-2H-thiochromene-3-carboxylic acid?
The InChIKey is AIBABWDWAXDVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO2S/c11-8-3-1-2-6-4-7(10(12)13)5-14-9(6)8/h1-3,7H,4-5H2,(H,12,13).
What are the key properties of 8-fluoro-3,4-dihydro-2H-thiochromene-3-carboxylic acid?
8-fluoro-3,4-dihydro-2H-thiochromene-3-carboxylic acid has a molecular weight of 212.24 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3,4-dihydro-2H-thiochromene-3-carboxylic acid is sourced from PubChem (CID 19982162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).