ethyl 3-[(2-fluorophenyl)methyl]-2-phenylindolizine-1-carboxylate

C24H20FNO2 — CID 138982582

IUPACethyl 3-[(2-fluorophenyl)methyl]-2-phenylindolizine-1-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)c(Cc2ccccc2F)n2ccccc12
InChIInChI=1S/C24H20FNO2/c1-2-28-24(27)23-20-14-8-9-15-26(20)21(16-18-12-6-7-13-19(18)25)22(23)17-10-4-3-5-11-17/h3-15H,2,16H2,1H3
InChIKeyRGQOTBGFITXZAK-UHFFFAOYSA-N
MW373.43 g/mol
LogP5.51
Rot. Bonds5

About ethyl 3-[(2-fluorophenyl)methyl]-2-phenylindolizine-1-carboxylate

ethyl 3-[(2-fluorophenyl)methyl]-2-phenylindolizine-1-carboxylate (PubChem CID 138982582) has the molecular formula C24H20FNO2 and a molecular weight of 373.43 g/mol. Its IUPAC name is ethyl 3-[(2-fluorophenyl)methyl]-2-phenylindolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(2-fluorophenyl)methyl]-2-phenylindolizine-1-carboxylate
PubChem CID138982582
Molecular FormulaC24H20FNO2
Molecular Weight373.43 g/mol
Exact Mass373.15
IUPAC Nameethyl 3-[(2-fluorophenyl)methyl]-2-phenylindolizine-1-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)c(Cc2ccccc2F)n2ccccc12
InChIInChI=1S/C24H20FNO2/c1-2-28-24(27)23-20-14-8-9-15-26(20)21(16-18-12-6-7-13-19(18)25)22(23)17-10-4-3-5-11-17/h3-15H,2,16H2,1H3
InChIKeyRGQOTBGFITXZAK-UHFFFAOYSA-N
XLogP5.51
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.43
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-fluorophenyl)methyl]-2-phenylindolizine-1-carboxylate?
The IUPAC name of ethyl 3-[(2-fluorophenyl)methyl]-2-phenylindolizine-1-carboxylate (CID 138982582) is ethyl 3-[(2-fluorophenyl)methyl]-2-phenylindolizine-1-carboxylate.
What is the SMILES notation for ethyl 3-[(2-fluorophenyl)methyl]-2-phenylindolizine-1-carboxylate?
The canonical SMILES for ethyl 3-[(2-fluorophenyl)methyl]-2-phenylindolizine-1-carboxylate is CCOC(=O)c1c(-c2ccccc2)c(Cc2ccccc2F)n2ccccc12.
What is the InChIKey of ethyl 3-[(2-fluorophenyl)methyl]-2-phenylindolizine-1-carboxylate?
The InChIKey is RGQOTBGFITXZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FNO2/c1-2-28-24(27)23-20-14-8-9-15-26(20)21(16-18-12-6-7-13-19(18)25)22(23)17-10-4-3-5-11-17/h3-15H,2,16H2,1H3.
What are the key properties of ethyl 3-[(2-fluorophenyl)methyl]-2-phenylindolizine-1-carboxylate?
ethyl 3-[(2-fluorophenyl)methyl]-2-phenylindolizine-1-carboxylate has a molecular weight of 373.43 g/mol, XLogP of 5.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-fluorophenyl)methyl]-2-phenylindolizine-1-carboxylate is sourced from PubChem (CID 138982582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).