4-fluoro-2,3-dihydro-1H-indene-2-carboxylic acid

C10H9FO2 — CID 68878048

IUPAC4-fluoro-2,3-dihydro-1H-indene-2-carboxylic acid
SMILESO=C(O)C1Cc2cccc(F)c2C1
InChIInChI=1S/C10H9FO2/c11-9-3-1-2-6-4-7(10(12)13)5-8(6)9/h1-3,7H,4-5H2,(H,12,13)
InChIKeyUQHMOPUWOMZZPL-UHFFFAOYSA-N
MW180.18 g/mol
LogP1.63
Rot. Bonds1

About 4-fluoro-2,3-dihydro-1H-indene-2-carboxylic acid

4-fluoro-2,3-dihydro-1H-indene-2-carboxylic acid (PubChem CID 68878048) has the molecular formula C10H9FO2 and a molecular weight of 180.18 g/mol. Its IUPAC name is 4-fluoro-2,3-dihydro-1H-indene-2-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-2,3-dihydro-1H-indene-2-carboxylic acid
PubChem CID68878048
Molecular FormulaC10H9FO2
Molecular Weight180.18 g/mol
Exact Mass180.06
IUPAC Name4-fluoro-2,3-dihydro-1H-indene-2-carboxylic acid
SMILESO=C(O)C1Cc2cccc(F)c2C1
InChIInChI=1S/C10H9FO2/c11-9-3-1-2-6-4-7(10(12)13)5-8(6)9/h1-3,7H,4-5H2,(H,12,13)
InChIKeyUQHMOPUWOMZZPL-UHFFFAOYSA-N
XLogP1.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,3-dihydro-1H-indene-2-carboxylic acid?
The IUPAC name of 4-fluoro-2,3-dihydro-1H-indene-2-carboxylic acid (CID 68878048) is 4-fluoro-2,3-dihydro-1H-indene-2-carboxylic acid.
What is the SMILES notation for 4-fluoro-2,3-dihydro-1H-indene-2-carboxylic acid?
The canonical SMILES for 4-fluoro-2,3-dihydro-1H-indene-2-carboxylic acid is O=C(O)C1Cc2cccc(F)c2C1.
What is the InChIKey of 4-fluoro-2,3-dihydro-1H-indene-2-carboxylic acid?
The InChIKey is UQHMOPUWOMZZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO2/c11-9-3-1-2-6-4-7(10(12)13)5-8(6)9/h1-3,7H,4-5H2,(H,12,13).
What are the key properties of 4-fluoro-2,3-dihydro-1H-indene-2-carboxylic acid?
4-fluoro-2,3-dihydro-1H-indene-2-carboxylic acid has a molecular weight of 180.18 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,3-dihydro-1H-indene-2-carboxylic acid is sourced from PubChem (CID 68878048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).