2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-hydroxyacetic acid

C11H11FO3 — CID 116532467

IUPAC2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)C1CCc2cc(F)ccc21
InChIInChI=1S/C11H11FO3/c12-7-2-4-8-6(5-7)1-3-9(8)10(13)11(14)15/h2,4-5,9-10,13H,1,3H2,(H,14,15)
InChIKeyGFFAWCJUUJDYBI-UHFFFAOYSA-N
MW210.20 g/mol
LogP1.30
Rot. Bonds2

About 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-hydroxyacetic acid

2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-hydroxyacetic acid (PubChem CID 116532467) has the molecular formula C11H11FO3 and a molecular weight of 210.20 g/mol. Its IUPAC name is 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-hydroxyacetic acid
PubChem CID116532467
Molecular FormulaC11H11FO3
Molecular Weight210.20 g/mol
Exact Mass210.07
IUPAC Name2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)C1CCc2cc(F)ccc21
InChIInChI=1S/C11H11FO3/c12-7-2-4-8-6(5-7)1-3-9(8)10(13)11(14)15/h2,4-5,9-10,13H,1,3H2,(H,14,15)
InChIKeyGFFAWCJUUJDYBI-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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Related Compounds

(+-)-3-Phenyllactic acid
CID 3848
3-Phenyllactic acid, (S)-
CID 444718
(R)-3-phenyllactic acid
CID 643327
1H-Indene-1-carboxylic acid, 2,3-dihydro-
CID 85728
2-Indancarboxylic Acid
CID 575777
1-Indanacetic acid
CID 96501
(1R)-2,3-Dihydro-1H-indene-1-carboxylic acid
CID 12332876
2-(2,3-dihydro-1H-inden-2-yl)acetic Acid
CID 5174955
3-Phenyllactate
CID 4060207
(2,7-Difluoro-9H-fluoren-9-yl)-acetic acid
CID 44378591
(2-Fluoro-9H-fluoren-9-yl)-acetic acid
CID 44378917
2-Hydroxy-5-phenylpentanoic acid
CID 18008536

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-hydroxyacetic acid?
The IUPAC name of 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-hydroxyacetic acid (CID 116532467) is 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-hydroxyacetic acid is O=C(O)C(O)C1CCc2cc(F)ccc21.
What is the InChIKey of 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-hydroxyacetic acid?
The InChIKey is GFFAWCJUUJDYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO3/c12-7-2-4-8-6(5-7)1-3-9(8)10(13)11(14)15/h2,4-5,9-10,13H,1,3H2,(H,14,15).
What are the key properties of 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-hydroxyacetic acid?
2-(5-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-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-hydroxyacetic acid is sourced from PubChem (CID 116532467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).