2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid

C14H11FO3S — CID 107432549

IUPAC2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid
SMILESO=C(O)c1ccsc1C1(O)CCc2c(F)cccc21
InChIInChI=1S/C14H11FO3S/c15-11-3-1-2-10-8(11)4-6-14(10,18)12-9(13(16)17)5-7-19-12/h1-3,5,7,18H,4,6H2,(H,16,17)
InChIKeyLMHZHQGCZKVWSI-UHFFFAOYSA-N
MW278.30 g/mol
LogP2.77
Rot. Bonds2

About 2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid

2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid (PubChem CID 107432549) has the molecular formula C14H11FO3S and a molecular weight of 278.30 g/mol. Its IUPAC name is 2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid
PubChem CID107432549
Molecular FormulaC14H11FO3S
Molecular Weight278.30 g/mol
Exact Mass278.04
IUPAC Name2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid
SMILESO=C(O)c1ccsc1C1(O)CCc2c(F)cccc21
InChIInChI=1S/C14H11FO3S/c15-11-3-1-2-10-8(11)4-6-14(10,18)12-9(13(16)17)5-7-19-12/h1-3,5,7,18H,4,6H2,(H,16,17)
InChIKeyLMHZHQGCZKVWSI-UHFFFAOYSA-N
XLogP2.77
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-hydroxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid
CID 107431968
2-(1-hydroxy-6-methoxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid
CID 107432385
1-(3,4-difluorophenyl)-4-fluoro-2,3-dihydroinden-1-ol
CID 83070046
2-(1-hydroxy-4-oxocyclohexyl)thiophene-3-carboxylic acid
CID 107432346
(1R)-1-amino-4-fluoro-2,3-dihydroindene-1-carboxylic acid
CID 97055121
4-fluoro-1-(2,4,5-trimethylphenyl)-2,3-dihydroinden-1-ol
CID 83069257
4-fluoro-1-(4-propan-2-ylphenyl)-2,3-dihydroinden-1-ol
CID 83069805
1-(cyclohexen-1-yl)-4-fluoro-2,3-dihydroinden-1-ol
CID 106651521
2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)-2-methylpropanoic acid
CID 83069348
1-(3-chlorophenyl)-4-fluoro-2,3-dihydroinden-1-ol
CID 83069489
1-(3,4-dimethoxyphenyl)-4-fluoro-2,3-dihydroinden-1-ol
CID 83058958
4-fluoro-1-(4-methylpiperazin-1-yl)-2,3-dihydroindene-1-carboxylic acid
CID 83069177

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid?
The IUPAC name of 2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid (CID 107432549) is 2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid?
The canonical SMILES for 2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid is O=C(O)c1ccsc1C1(O)CCc2c(F)cccc21.
What is the InChIKey of 2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid?
The InChIKey is LMHZHQGCZKVWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO3S/c15-11-3-1-2-10-8(11)4-6-14(10,18)12-9(13(16)17)5-7-19-12/h1-3,5,7,18H,4,6H2,(H,16,17).
What are the key properties of 2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid?
2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid has a molecular weight of 278.30 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid is sourced from PubChem (CID 107432549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).