2-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-hydroxyacetic acid

C11H11FO3 — CID 83069676

IUPAC2-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)C1CCc2c(F)cccc21
InChIInChI=1S/C11H11FO3/c12-9-3-1-2-6-7(9)4-5-8(6)10(13)11(14)15/h1-3,8,10,13H,4-5H2,(H,14,15)
InChIKeyACKLQKCYNFDGCU-UHFFFAOYSA-N
MW210.20 g/mol
LogP1.30
Rot. Bonds2

About 2-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-hydroxyacetic acid

2-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-hydroxyacetic acid (PubChem CID 83069676) has the molecular formula C11H11FO3 and a molecular weight of 210.20 g/mol. Its IUPAC name is 2-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-hydroxyacetic acid
PubChem CID83069676
Molecular FormulaC11H11FO3
Molecular Weight210.20 g/mol
Exact Mass210.07
IUPAC Name2-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)C1CCc2c(F)cccc21
InChIInChI=1S/C11H11FO3/c12-9-3-1-2-6-7(9)4-5-8(6)10(13)11(14)15/h1-3,8,10,13H,4-5H2,(H,14,15)
InChIKeyACKLQKCYNFDGCU-UHFFFAOYSA-N
XLogP1.30
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-hydroxyacetic acid?
The IUPAC name of 2-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-hydroxyacetic acid (CID 83069676) is 2-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-hydroxyacetic acid is O=C(O)C(O)C1CCc2c(F)cccc21.
What is the InChIKey of 2-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-hydroxyacetic acid?
The InChIKey is ACKLQKCYNFDGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO3/c12-9-3-1-2-6-7(9)4-5-8(6)10(13)11(14)15/h1-3,8,10,13H,4-5H2,(H,14,15).
What are the key properties of 2-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-hydroxyacetic acid?
2-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-hydroxyacetic acid has a molecular weight of 210.20 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-hydroxyacetic acid is sourced from PubChem (CID 83069676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).