ethyl 3-(3-fluorophenyl)-7-(hydroxymethyl)indolizine-2-carboxylate

C18H16FNO3 — CID 67036539

IUPACethyl 3-(3-fluorophenyl)-7-(hydroxymethyl)indolizine-2-carboxylate
SMILESCCOC(=O)c1cc2cc(CO)ccn2c1-c1cccc(F)c1
InChIInChI=1S/C18H16FNO3/c1-2-23-18(22)16-10-15-8-12(11-21)6-7-20(15)17(16)13-4-3-5-14(19)9-13/h3-10,21H,2,11H2,1H3
InChIKeyLKHWEORTBRLTHE-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.41
Rot. Bonds4

About ethyl 3-(3-fluorophenyl)-7-(hydroxymethyl)indolizine-2-carboxylate

ethyl 3-(3-fluorophenyl)-7-(hydroxymethyl)indolizine-2-carboxylate (PubChem CID 67036539) has the molecular formula C18H16FNO3 and a molecular weight of 313.33 g/mol. Its IUPAC name is ethyl 3-(3-fluorophenyl)-7-(hydroxymethyl)indolizine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(3-fluorophenyl)-7-(hydroxymethyl)indolizine-2-carboxylate
PubChem CID67036539
Molecular FormulaC18H16FNO3
Molecular Weight313.33 g/mol
Exact Mass313.11
IUPAC Nameethyl 3-(3-fluorophenyl)-7-(hydroxymethyl)indolizine-2-carboxylate
SMILESCCOC(=O)c1cc2cc(CO)ccn2c1-c1cccc(F)c1
InChIInChI=1S/C18H16FNO3/c1-2-23-18(22)16-10-15-8-12(11-21)6-7-20(15)17(16)13-4-3-5-14(19)9-13/h3-10,21H,2,11H2,1H3
InChIKeyLKHWEORTBRLTHE-UHFFFAOYSA-N
XLogP3.41
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-fluorophenyl)-7-(hydroxymethyl)indolizine-2-carboxylate?
The IUPAC name of ethyl 3-(3-fluorophenyl)-7-(hydroxymethyl)indolizine-2-carboxylate (CID 67036539) is ethyl 3-(3-fluorophenyl)-7-(hydroxymethyl)indolizine-2-carboxylate.
What is the SMILES notation for ethyl 3-(3-fluorophenyl)-7-(hydroxymethyl)indolizine-2-carboxylate?
The canonical SMILES for ethyl 3-(3-fluorophenyl)-7-(hydroxymethyl)indolizine-2-carboxylate is CCOC(=O)c1cc2cc(CO)ccn2c1-c1cccc(F)c1.
What is the InChIKey of ethyl 3-(3-fluorophenyl)-7-(hydroxymethyl)indolizine-2-carboxylate?
The InChIKey is LKHWEORTBRLTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO3/c1-2-23-18(22)16-10-15-8-12(11-21)6-7-20(15)17(16)13-4-3-5-14(19)9-13/h3-10,21H,2,11H2,1H3.
What are the key properties of ethyl 3-(3-fluorophenyl)-7-(hydroxymethyl)indolizine-2-carboxylate?
ethyl 3-(3-fluorophenyl)-7-(hydroxymethyl)indolizine-2-carboxylate has a molecular weight of 313.33 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-fluorophenyl)-7-(hydroxymethyl)indolizine-2-carboxylate is sourced from PubChem (CID 67036539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).