6-[5-fluoro-2-(trifluoromethyl)phenyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid

C16H11F4NO3 — CID 69162189

IUPAC6-[5-fluoro-2-(trifluoromethyl)phenyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(F)ccc2C(F)(F)F)c(=O)n2c1CCC2
InChIInChI=1S/C16H11F4NO3/c17-8-3-4-12(16(18,19)20)9(6-8)10-7-11(15(23)24)13-2-1-5-21(13)14(10)22/h3-4,6-7H,1-2,5H2,(H,23,24)
InChIKeyPZYOLVWNVOMVMG-UHFFFAOYSA-N
MW341.26 g/mol
LogP3.32
Rot. Bonds2

About 6-[5-fluoro-2-(trifluoromethyl)phenyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid

6-[5-fluoro-2-(trifluoromethyl)phenyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid (PubChem CID 69162189) has the molecular formula C16H11F4NO3 and a molecular weight of 341.26 g/mol. Its IUPAC name is 6-[5-fluoro-2-(trifluoromethyl)phenyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid.

Molecular Properties

Compound Name6-[5-fluoro-2-(trifluoromethyl)phenyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid
PubChem CID69162189
Molecular FormulaC16H11F4NO3
Molecular Weight341.26 g/mol
Exact Mass341.07
IUPAC Name6-[5-fluoro-2-(trifluoromethyl)phenyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(F)ccc2C(F)(F)F)c(=O)n2c1CCC2
InChIInChI=1S/C16H11F4NO3/c17-8-3-4-12(16(18,19)20)9(6-8)10-7-11(15(23)24)13-2-1-5-21(13)14(10)22/h3-4,6-7H,1-2,5H2,(H,23,24)
InChIKeyPZYOLVWNVOMVMG-UHFFFAOYSA-N
XLogP3.32
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.26
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[5-fluoro-2-(trifluoromethyl)phenyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid?
The IUPAC name of 6-[5-fluoro-2-(trifluoromethyl)phenyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid (CID 69162189) is 6-[5-fluoro-2-(trifluoromethyl)phenyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid.
What is the SMILES notation for 6-[5-fluoro-2-(trifluoromethyl)phenyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid?
The canonical SMILES for 6-[5-fluoro-2-(trifluoromethyl)phenyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid is O=C(O)c1cc(-c2cc(F)ccc2C(F)(F)F)c(=O)n2c1CCC2.
What is the InChIKey of 6-[5-fluoro-2-(trifluoromethyl)phenyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid?
The InChIKey is PZYOLVWNVOMVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F4NO3/c17-8-3-4-12(16(18,19)20)9(6-8)10-7-11(15(23)24)13-2-1-5-21(13)14(10)22/h3-4,6-7H,1-2,5H2,(H,23,24).
What are the key properties of 6-[5-fluoro-2-(trifluoromethyl)phenyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid?
6-[5-fluoro-2-(trifluoromethyl)phenyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid has a molecular weight of 341.26 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-fluoro-2-(trifluoromethyl)phenyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid is sourced from PubChem (CID 69162189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).