ethyl 3-(2-fluorophenyl)-3-pyrrolidin-1-ylpropanoate

C15H20FNO2 — CID 64539874

IUPACethyl 3-(2-fluorophenyl)-3-pyrrolidin-1-ylpropanoate
SMILESCCOC(=O)CC(c1ccccc1F)N1CCCC1
InChIInChI=1S/C15H20FNO2/c1-2-19-15(18)11-14(17-9-5-6-10-17)12-7-3-4-8-13(12)16/h3-4,7-8,14H,2,5-6,9-11H2,1H3
InChIKeyMJXMRSVAPVWGFR-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.92
Rot. Bonds5

About ethyl 3-(2-fluorophenyl)-3-pyrrolidin-1-ylpropanoate

ethyl 3-(2-fluorophenyl)-3-pyrrolidin-1-ylpropanoate (PubChem CID 64539874) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is ethyl 3-(2-fluorophenyl)-3-pyrrolidin-1-ylpropanoate.

Molecular Properties

Compound Nameethyl 3-(2-fluorophenyl)-3-pyrrolidin-1-ylpropanoate
PubChem CID64539874
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Nameethyl 3-(2-fluorophenyl)-3-pyrrolidin-1-ylpropanoate
SMILESCCOC(=O)CC(c1ccccc1F)N1CCCC1
InChIInChI=1S/C15H20FNO2/c1-2-19-15(18)11-14(17-9-5-6-10-17)12-7-3-4-8-13(12)16/h3-4,7-8,14H,2,5-6,9-11H2,1H3
InChIKeyMJXMRSVAPVWGFR-UHFFFAOYSA-N
XLogP2.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(2-methoxyphenyl)-3-pyrrolidin-1-ylpropanoate
CID 64527619
ethyl 3-(2-bromophenyl)-3-piperidin-1-ylpropanoate
CID 64539908
ethyl 3-(2-methoxyphenyl)-3-piperidin-1-ylpropanoate
CID 64542045
ethyl 3-(2-chloro-6-fluorophenyl)-3-piperidin-1-ylpropanoate
CID 64540330
ethyl (3S)-3-amino-3-(2-fluorophenyl)propanoate
CID 723062
ethyl 3-[3-(difluoromethyl)phenyl]-3-pyrrolidin-1-ylpropanoate
CID 115529432
ethyl 3-(2-bromo-5-chlorophenyl)-3-piperidin-1-ylpropanoate
CID 66157879
ethyl 3-(5-bromo-2-methoxyphenyl)-3-pyrrolidin-1-ylpropanoate
CID 64528994
ethyl 3-(2-methoxyphenyl)-3-morpholin-4-ylpropanoate
CID 64528220
3-(2-ethoxyphenyl)-3-pyrrolidin-1-ylpropanoic acid
CID 64527940
diethyl 2-(2-fluorophenyl)propanedioate
CID 22325508
N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1H-imidazole-2-carboxamide
CID 91829882

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-fluorophenyl)-3-pyrrolidin-1-ylpropanoate?
The IUPAC name of ethyl 3-(2-fluorophenyl)-3-pyrrolidin-1-ylpropanoate (CID 64539874) is ethyl 3-(2-fluorophenyl)-3-pyrrolidin-1-ylpropanoate.
What is the SMILES notation for ethyl 3-(2-fluorophenyl)-3-pyrrolidin-1-ylpropanoate?
The canonical SMILES for ethyl 3-(2-fluorophenyl)-3-pyrrolidin-1-ylpropanoate is CCOC(=O)CC(c1ccccc1F)N1CCCC1.
What is the InChIKey of ethyl 3-(2-fluorophenyl)-3-pyrrolidin-1-ylpropanoate?
The InChIKey is MJXMRSVAPVWGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-2-19-15(18)11-14(17-9-5-6-10-17)12-7-3-4-8-13(12)16/h3-4,7-8,14H,2,5-6,9-11H2,1H3.
What are the key properties of ethyl 3-(2-fluorophenyl)-3-pyrrolidin-1-ylpropanoate?
ethyl 3-(2-fluorophenyl)-3-pyrrolidin-1-ylpropanoate has a molecular weight of 265.33 g/mol, XLogP of 2.92, 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)-3-pyrrolidin-1-ylpropanoate is sourced from PubChem (CID 64539874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).