4-fluoro-3-oxo-1-phenyl-2H-indene-1-carboxylic acid

C16H11FO3 — CID 3822579

IUPAC4-fluoro-3-oxo-1-phenyl-2H-indene-1-carboxylic acid
SMILESO=C1CC(C(=O)O)(c2ccccc2)c2cccc(F)c21
InChIInChI=1S/C16H11FO3/c17-12-8-4-7-11-14(12)13(18)9-16(11,15(19)20)10-5-2-1-3-6-10/h1-8H,9H2,(H,19,20)
InChIKeyVGZVTIPAJLBYAR-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.78
Rot. Bonds2

About 4-fluoro-3-oxo-1-phenyl-2H-indene-1-carboxylic acid

4-fluoro-3-oxo-1-phenyl-2H-indene-1-carboxylic acid (PubChem CID 3822579) has the molecular formula C16H11FO3 and a molecular weight of 270.26 g/mol. Its IUPAC name is 4-fluoro-3-oxo-1-phenyl-2H-indene-1-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-3-oxo-1-phenyl-2H-indene-1-carboxylic acid
PubChem CID3822579
Molecular FormulaC16H11FO3
Molecular Weight270.26 g/mol
Exact Mass270.07
IUPAC Name4-fluoro-3-oxo-1-phenyl-2H-indene-1-carboxylic acid
SMILESO=C1CC(C(=O)O)(c2ccccc2)c2cccc(F)c21
InChIInChI=1S/C16H11FO3/c17-12-8-4-7-11-14(12)13(18)9-16(11,15(19)20)10-5-2-1-3-6-10/h1-8H,9H2,(H,19,20)
InChIKeyVGZVTIPAJLBYAR-UHFFFAOYSA-N
XLogP2.78
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-oxo-1-phenyl-2H-indene-1-carboxylic acid?
The IUPAC name of 4-fluoro-3-oxo-1-phenyl-2H-indene-1-carboxylic acid (CID 3822579) is 4-fluoro-3-oxo-1-phenyl-2H-indene-1-carboxylic acid.
What is the SMILES notation for 4-fluoro-3-oxo-1-phenyl-2H-indene-1-carboxylic acid?
The canonical SMILES for 4-fluoro-3-oxo-1-phenyl-2H-indene-1-carboxylic acid is O=C1CC(C(=O)O)(c2ccccc2)c2cccc(F)c21.
What is the InChIKey of 4-fluoro-3-oxo-1-phenyl-2H-indene-1-carboxylic acid?
The InChIKey is VGZVTIPAJLBYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FO3/c17-12-8-4-7-11-14(12)13(18)9-16(11,15(19)20)10-5-2-1-3-6-10/h1-8H,9H2,(H,19,20).
What are the key properties of 4-fluoro-3-oxo-1-phenyl-2H-indene-1-carboxylic acid?
4-fluoro-3-oxo-1-phenyl-2H-indene-1-carboxylic acid has a molecular weight of 270.26 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-oxo-1-phenyl-2H-indene-1-carboxylic acid is sourced from PubChem (CID 3822579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).