ethyl 5-oxo-6-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-indolizine-8-carboxylate

C19H18F3NO3 — CID 86275285

IUPACethyl 5-oxo-6-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-indolizine-8-carboxylate
SMILESCCOC(=O)c1cc(Cc2ccccc2C(F)(F)F)c(=O)n2c1CCC2
InChIInChI=1S/C19H18F3NO3/c1-2-26-18(25)14-11-13(17(24)23-9-5-8-16(14)23)10-12-6-3-4-7-15(12)19(20,21)22/h3-4,6-7,11H,2,5,8-10H2,1H3
InChIKeyBKZGLSVIATUCDN-UHFFFAOYSA-N
MW365.35 g/mol
LogP3.58
Rot. Bonds4

About ethyl 5-oxo-6-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-indolizine-8-carboxylate

ethyl 5-oxo-6-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-indolizine-8-carboxylate (PubChem CID 86275285) has the molecular formula C19H18F3NO3 and a molecular weight of 365.35 g/mol. Its IUPAC name is ethyl 5-oxo-6-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-indolizine-8-carboxylate.

Molecular Properties

Compound Nameethyl 5-oxo-6-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-indolizine-8-carboxylate
PubChem CID86275285
Molecular FormulaC19H18F3NO3
Molecular Weight365.35 g/mol
Exact Mass365.12
IUPAC Nameethyl 5-oxo-6-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-indolizine-8-carboxylate
SMILESCCOC(=O)c1cc(Cc2ccccc2C(F)(F)F)c(=O)n2c1CCC2
InChIInChI=1S/C19H18F3NO3/c1-2-26-18(25)14-11-13(17(24)23-9-5-8-16(14)23)10-12-6-3-4-7-15(12)19(20,21)22/h3-4,6-7,11H,2,5,8-10H2,1H3
InChIKeyBKZGLSVIATUCDN-UHFFFAOYSA-N
XLogP3.58
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-oxo-6-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-indolizine-8-carboxylate?
The IUPAC name of ethyl 5-oxo-6-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-indolizine-8-carboxylate (CID 86275285) is ethyl 5-oxo-6-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-indolizine-8-carboxylate.
What is the SMILES notation for ethyl 5-oxo-6-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-indolizine-8-carboxylate?
The canonical SMILES for ethyl 5-oxo-6-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-indolizine-8-carboxylate is CCOC(=O)c1cc(Cc2ccccc2C(F)(F)F)c(=O)n2c1CCC2.
What is the InChIKey of ethyl 5-oxo-6-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-indolizine-8-carboxylate?
The InChIKey is BKZGLSVIATUCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO3/c1-2-26-18(25)14-11-13(17(24)23-9-5-8-16(14)23)10-12-6-3-4-7-15(12)19(20,21)22/h3-4,6-7,11H,2,5,8-10H2,1H3.
What are the key properties of ethyl 5-oxo-6-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-indolizine-8-carboxylate?
ethyl 5-oxo-6-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-indolizine-8-carboxylate has a molecular weight of 365.35 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-oxo-6-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-indolizine-8-carboxylate is sourced from PubChem (CID 86275285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).