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

C13H15FO3 — CID 83069348

IUPAC2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C1(O)CCc2c(F)cccc21
InChIInChI=1S/C13H15FO3/c1-12(2,11(15)16)13(17)7-6-8-9(13)4-3-5-10(8)14/h3-5,17H,6-7H2,1-2H3,(H,15,16)
InChIKeyDGQJBAGIYVJHPF-UHFFFAOYSA-N
MW238.26 g/mol
LogP2.07
Rot. Bonds2

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

2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)-2-methylpropanoic acid (PubChem CID 83069348) has the molecular formula C13H15FO3 and a molecular weight of 238.26 g/mol. Its IUPAC name is 2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)-2-methylpropanoic acid
PubChem CID83069348
Molecular FormulaC13H15FO3
Molecular Weight238.26 g/mol
Exact Mass238.10
IUPAC Name2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C1(O)CCc2c(F)cccc21
InChIInChI=1S/C13H15FO3/c1-12(2,11(15)16)13(17)7-6-8-9(13)4-3-5-10(8)14/h3-5,17H,6-7H2,1-2H3,(H,15,16)
InChIKeyDGQJBAGIYVJHPF-UHFFFAOYSA-N
XLogP2.07
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)-2-methylpropanoic acid (CID 83069348) is 2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)-2-methylpropanoic acid is CC(C)(C(=O)O)C1(O)CCc2c(F)cccc21.
What is the InChIKey of 2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)-2-methylpropanoic acid?
The InChIKey is DGQJBAGIYVJHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO3/c1-12(2,11(15)16)13(17)7-6-8-9(13)4-3-5-10(8)14/h3-5,17H,6-7H2,1-2H3,(H,15,16).
What are the key properties of 2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)-2-methylpropanoic acid?
2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)-2-methylpropanoic acid has a molecular weight of 238.26 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)-2-methylpropanoic acid is sourced from PubChem (CID 83069348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).