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

C11H11FO2 — CID 82401388

IUPAC2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)acetic acid
SMILESO=C(O)CC1Cc2ccc(F)cc2C1
InChIInChI=1S/C11H11FO2/c12-10-2-1-8-3-7(5-11(13)14)4-9(8)6-10/h1-2,6-7H,3-5H2,(H,13,14)
InChIKeyXZTWKSDIHZLGFY-UHFFFAOYSA-N
MW194.20 g/mol
LogP2.02
Rot. Bonds2

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

2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)acetic acid (PubChem CID 82401388) has the molecular formula C11H11FO2 and a molecular weight of 194.20 g/mol. Its IUPAC name is 2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)acetic acid
PubChem CID82401388
Molecular FormulaC11H11FO2
Molecular Weight194.20 g/mol
Exact Mass194.07
IUPAC Name2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)acetic acid
SMILESO=C(O)CC1Cc2ccc(F)cc2C1
InChIInChI=1S/C11H11FO2/c12-10-2-1-8-3-7(5-11(13)14)4-9(8)6-10/h1-2,6-7H,3-5H2,(H,13,14)
InChIKeyXZTWKSDIHZLGFY-UHFFFAOYSA-N
XLogP2.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)acetic acid?
The IUPAC name of 2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)acetic acid (CID 82401388) is 2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)acetic acid.
What is the SMILES notation for 2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)acetic acid?
The canonical SMILES for 2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)acetic acid is O=C(O)CC1Cc2ccc(F)cc2C1.
What is the InChIKey of 2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)acetic acid?
The InChIKey is XZTWKSDIHZLGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO2/c12-10-2-1-8-3-7(5-11(13)14)4-9(8)6-10/h1-2,6-7H,3-5H2,(H,13,14).
What are the key properties of 2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)acetic acid?
2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)acetic acid has a molecular weight of 194.20 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)acetic acid is sourced from PubChem (CID 82401388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).