(1S)-5-fluoro-3-oxo-1,2-dihydroindene-1-carboxylic acid

C10H7FO3 — CID 55265005

IUPAC(1S)-5-fluoro-3-oxo-1,2-dihydroindene-1-carboxylic acid
SMILESO=C1C[C@H](C(=O)O)c2ccc(F)cc21
InChIInChI=1S/C10H7FO3/c11-5-1-2-6-7(3-5)9(12)4-8(6)10(13)14/h1-3,8H,4H2,(H,13,14)/t8-/m0/s1
InChIKeyHDBFBIPXJGSERG-QMMMGPOBSA-N
MW194.16 g/mol
LogP1.58
Rot. Bonds1

About (1S)-5-fluoro-3-oxo-1,2-dihydroindene-1-carboxylic acid

(1S)-5-fluoro-3-oxo-1,2-dihydroindene-1-carboxylic acid (PubChem CID 55265005) has the molecular formula C10H7FO3 and a molecular weight of 194.16 g/mol. Its IUPAC name is (1S)-5-fluoro-3-oxo-1,2-dihydroindene-1-carboxylic acid.

Molecular Properties

Compound Name(1S)-5-fluoro-3-oxo-1,2-dihydroindene-1-carboxylic acid
PubChem CID55265005
Molecular FormulaC10H7FO3
Molecular Weight194.16 g/mol
Exact Mass194.04
IUPAC Name(1S)-5-fluoro-3-oxo-1,2-dihydroindene-1-carboxylic acid
SMILESO=C1C[C@H](C(=O)O)c2ccc(F)cc21
InChIInChI=1S/C10H7FO3/c11-5-1-2-6-7(3-5)9(12)4-8(6)10(13)14/h1-3,8H,4H2,(H,13,14)/t8-/m0/s1
InChIKeyHDBFBIPXJGSERG-QMMMGPOBSA-N
XLogP1.58
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-5-fluoro-3-oxo-1,2-dihydroindene-1-carboxylic acid?
The IUPAC name of (1S)-5-fluoro-3-oxo-1,2-dihydroindene-1-carboxylic acid (CID 55265005) is (1S)-5-fluoro-3-oxo-1,2-dihydroindene-1-carboxylic acid.
What is the SMILES notation for (1S)-5-fluoro-3-oxo-1,2-dihydroindene-1-carboxylic acid?
The canonical SMILES for (1S)-5-fluoro-3-oxo-1,2-dihydroindene-1-carboxylic acid is O=C1C[C@H](C(=O)O)c2ccc(F)cc21.
What is the InChIKey of (1S)-5-fluoro-3-oxo-1,2-dihydroindene-1-carboxylic acid?
The InChIKey is HDBFBIPXJGSERG-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H7FO3/c11-5-1-2-6-7(3-5)9(12)4-8(6)10(13)14/h1-3,8H,4H2,(H,13,14)/t8-/m0/s1.
What are the key properties of (1S)-5-fluoro-3-oxo-1,2-dihydroindene-1-carboxylic acid?
(1S)-5-fluoro-3-oxo-1,2-dihydroindene-1-carboxylic acid has a molecular weight of 194.16 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5-fluoro-3-oxo-1,2-dihydroindene-1-carboxylic acid is sourced from PubChem (CID 55265005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).