ethyl 1-(4-fluorophenyl)-6-(hydroxymethyl)indolizine-2-carboxylate

C18H16FNO3 — CID 67068218

IUPACethyl 1-(4-fluorophenyl)-6-(hydroxymethyl)indolizine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(CO)ccc2c1-c1ccc(F)cc1
InChIInChI=1S/C18H16FNO3/c1-2-23-18(22)15-10-20-9-12(11-21)3-8-16(20)17(15)13-4-6-14(19)7-5-13/h3-10,21H,2,11H2,1H3
InChIKeyTYHGFGHBUGKANW-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.41
Rot. Bonds4

About ethyl 1-(4-fluorophenyl)-6-(hydroxymethyl)indolizine-2-carboxylate

ethyl 1-(4-fluorophenyl)-6-(hydroxymethyl)indolizine-2-carboxylate (PubChem CID 67068218) has the molecular formula C18H16FNO3 and a molecular weight of 313.33 g/mol. Its IUPAC name is ethyl 1-(4-fluorophenyl)-6-(hydroxymethyl)indolizine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-fluorophenyl)-6-(hydroxymethyl)indolizine-2-carboxylate
PubChem CID67068218
Molecular FormulaC18H16FNO3
Molecular Weight313.33 g/mol
Exact Mass313.11
IUPAC Nameethyl 1-(4-fluorophenyl)-6-(hydroxymethyl)indolizine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(CO)ccc2c1-c1ccc(F)cc1
InChIInChI=1S/C18H16FNO3/c1-2-23-18(22)15-10-20-9-12(11-21)3-8-16(20)17(15)13-4-6-14(19)7-5-13/h3-10,21H,2,11H2,1H3
InChIKeyTYHGFGHBUGKANW-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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Related Compounds

ethyl 6-(hydroxymethyl)-1-(6-methoxy-3-pyridinyl)indolizine-2-carboxylate
CID 67068219
ethyl 2-(4-fluorophenyl)benzoate
CID 43840259
3-ethoxycarbonyl-2-(4-fluorophenyl)benzoic acid
CID 169449758
diethyl 3-(4-fluorophenyl)-1-methyl-4-oxopyridine-2,5-dicarboxylate
CID 142563798
diethyl 3,6-bis(4-fluorophenyl)thieno[3,2-b]thiophene-2,5-dicarboxylate
CID 134386122
ethyl 1-[(4-fluorophenyl)methyl]-2-methylpyrrole-3-carboxylate
CID 46835601
ethyl 3,4-bis(4-fluorophenyl)-1H-pyrrole-2-carboxylate
CID 14498216
ethyl 5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxylate
CID 66771917
ethyl 1-(6-methoxy-3-pyridinyl)-6-[[4-(1,1,1-trifluoro-4-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxylate
CID 67068233
ethyl 4-(4-fluorophenyl)-2-hydroxybenzoate
CID 125477835
ethyl 3-(4-fluorophenyl)pyrrolo[1,2-a]pyrimidine-8-carboxylate
CID 131988344
ethyl 3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrrole-2-carboxylate
CID 59988452

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-fluorophenyl)-6-(hydroxymethyl)indolizine-2-carboxylate?
The IUPAC name of ethyl 1-(4-fluorophenyl)-6-(hydroxymethyl)indolizine-2-carboxylate (CID 67068218) is ethyl 1-(4-fluorophenyl)-6-(hydroxymethyl)indolizine-2-carboxylate.
What is the SMILES notation for ethyl 1-(4-fluorophenyl)-6-(hydroxymethyl)indolizine-2-carboxylate?
The canonical SMILES for ethyl 1-(4-fluorophenyl)-6-(hydroxymethyl)indolizine-2-carboxylate is CCOC(=O)c1cn2cc(CO)ccc2c1-c1ccc(F)cc1.
What is the InChIKey of ethyl 1-(4-fluorophenyl)-6-(hydroxymethyl)indolizine-2-carboxylate?
The InChIKey is TYHGFGHBUGKANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO3/c1-2-23-18(22)15-10-20-9-12(11-21)3-8-16(20)17(15)13-4-6-14(19)7-5-13/h3-10,21H,2,11H2,1H3.
What are the key properties of ethyl 1-(4-fluorophenyl)-6-(hydroxymethyl)indolizine-2-carboxylate?
ethyl 1-(4-fluorophenyl)-6-(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 1-(4-fluorophenyl)-6-(hydroxymethyl)indolizine-2-carboxylate is sourced from PubChem (CID 67068218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).