7-fluoro-1-oxo-2,3-dihydroindene-5-carboxylic acid

C10H7FO3 — CID 55297061

IUPAC7-fluoro-1-oxo-2,3-dihydroindene-5-carboxylic acid
SMILESO=C(O)c1cc(F)c2c(c1)CCC2=O
InChIInChI=1S/C10H7FO3/c11-7-4-6(10(13)14)3-5-1-2-8(12)9(5)7/h3-4H,1-2H2,(H,13,14)
InChIKeyVMBDSNHDSMZSCD-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.65
Rot. Bonds1

About 7-fluoro-1-oxo-2,3-dihydroindene-5-carboxylic acid

7-fluoro-1-oxo-2,3-dihydroindene-5-carboxylic acid (PubChem CID 55297061) has the molecular formula C10H7FO3 and a molecular weight of 194.16 g/mol. Its IUPAC name is 7-fluoro-1-oxo-2,3-dihydroindene-5-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-1-oxo-2,3-dihydroindene-5-carboxylic acid
PubChem CID55297061
Molecular FormulaC10H7FO3
Molecular Weight194.16 g/mol
Exact Mass194.04
IUPAC Name7-fluoro-1-oxo-2,3-dihydroindene-5-carboxylic acid
SMILESO=C(O)c1cc(F)c2c(c1)CCC2=O
InChIInChI=1S/C10H7FO3/c11-7-4-6(10(13)14)3-5-1-2-8(12)9(5)7/h3-4H,1-2H2,(H,13,14)
InChIKeyVMBDSNHDSMZSCD-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-oxo-2,3-dihydroindene-5-carboxylic acid?
The IUPAC name of 7-fluoro-1-oxo-2,3-dihydroindene-5-carboxylic acid (CID 55297061) is 7-fluoro-1-oxo-2,3-dihydroindene-5-carboxylic acid.
What is the SMILES notation for 7-fluoro-1-oxo-2,3-dihydroindene-5-carboxylic acid?
The canonical SMILES for 7-fluoro-1-oxo-2,3-dihydroindene-5-carboxylic acid is O=C(O)c1cc(F)c2c(c1)CCC2=O.
What is the InChIKey of 7-fluoro-1-oxo-2,3-dihydroindene-5-carboxylic acid?
The InChIKey is VMBDSNHDSMZSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FO3/c11-7-4-6(10(13)14)3-5-1-2-8(12)9(5)7/h3-4H,1-2H2,(H,13,14).
What are the key properties of 7-fluoro-1-oxo-2,3-dihydroindene-5-carboxylic acid?
7-fluoro-1-oxo-2,3-dihydroindene-5-carboxylic acid has a molecular weight of 194.16 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-oxo-2,3-dihydroindene-5-carboxylic acid is sourced from PubChem (CID 55297061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).