2-(5-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetic acid

C11H11FO3 — CID 23293656

IUPAC2-(5-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetic acid
SMILESO=C(O)CC1(O)CCc2cc(F)ccc21
InChIInChI=1S/C11H11FO3/c12-8-1-2-9-7(5-8)3-4-11(9,15)6-10(13)14/h1-2,5,15H,3-4,6H2,(H,13,14)
InChIKeySGENIQVQZIGKJD-UHFFFAOYSA-N
MW210.20 g/mol
LogP1.43
Rot. Bonds2

About 2-(5-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetic acid

2-(5-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetic acid (PubChem CID 23293656) has the molecular formula C11H11FO3 and a molecular weight of 210.20 g/mol. Its IUPAC name is 2-(5-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetic acid.

Molecular Properties

Compound Name2-(5-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetic acid
PubChem CID23293656
Molecular FormulaC11H11FO3
Molecular Weight210.20 g/mol
Exact Mass210.07
IUPAC Name2-(5-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetic acid
SMILESO=C(O)CC1(O)CCc2cc(F)ccc21
InChIInChI=1S/C11H11FO3/c12-8-1-2-9-7(5-8)3-4-11(9,15)6-10(13)14/h1-2,5,15H,3-4,6H2,(H,13,14)
InChIKeySGENIQVQZIGKJD-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetic acid?
The IUPAC name of 2-(5-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetic acid (CID 23293656) is 2-(5-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetic acid.
What is the SMILES notation for 2-(5-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetic acid?
The canonical SMILES for 2-(5-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetic acid is O=C(O)CC1(O)CCc2cc(F)ccc21.
What is the InChIKey of 2-(5-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetic acid?
The InChIKey is SGENIQVQZIGKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO3/c12-8-1-2-9-7(5-8)3-4-11(9,15)6-10(13)14/h1-2,5,15H,3-4,6H2,(H,13,14).
What are the key properties of 2-(5-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetic acid?
2-(5-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetic acid has a molecular weight of 210.20 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetic acid is sourced from PubChem (CID 23293656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).