ethyl 2-(4-fluorobenzoyl)pyrrolidine-1-carboxylate

C14H16FNO3 — CID 19772086

IUPACethyl 2-(4-fluorobenzoyl)pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCCC1C(=O)c1ccc(F)cc1
InChIInChI=1S/C14H16FNO3/c1-2-19-14(18)16-9-3-4-12(16)13(17)10-5-7-11(15)8-6-10/h5-8,12H,2-4,9H2,1H3
InChIKeyWJGKYFGVNSMEBM-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.63
Rot. Bonds3

About ethyl 2-(4-fluorobenzoyl)pyrrolidine-1-carboxylate

ethyl 2-(4-fluorobenzoyl)pyrrolidine-1-carboxylate (PubChem CID 19772086) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is ethyl 2-(4-fluorobenzoyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-fluorobenzoyl)pyrrolidine-1-carboxylate
PubChem CID19772086
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Nameethyl 2-(4-fluorobenzoyl)pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCCC1C(=O)c1ccc(F)cc1
InChIInChI=1S/C14H16FNO3/c1-2-19-14(18)16-9-3-4-12(16)13(17)10-5-7-11(15)8-6-10/h5-8,12H,2-4,9H2,1H3
InChIKeyWJGKYFGVNSMEBM-UHFFFAOYSA-N
XLogP2.63
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[1-(4-fluorobenzoyl)pyrrolidin-2-yl]-2-oxoacetate
CID 54117354
butyl (2S)-2-(4-octylbenzoyl)pyrrolidine-1-carboxylate
CID 162786126
benzyl 2-benzoylpyrrolidine-1-carboxylate
CID 110357682
(2S)-1-ethoxycarbonylpyrrolidine-2-carboxylic acid
CID 1263680
1-[2-(4-ethylbenzoyl)pyrrolidin-1-yl]ethanone
CID 82118292
1-(4-fluorophenyl)-4-[2-(4-methoxy-3-methylbenzoyl)pyrrolidin-1-yl]butane-1,4-dione
CID 110410411
ethyl (2S)-2-(phenanthrene-9-carbonyl)pyrrolidine-1-carboxylate
CID 71535782
ethyl 2-(dimethylcarbamoyl)pyrrolidine-1-carboxylate
CID 60700666
ethyl 4-(4-fluorobenzoyl)-1,4-diazepane-1-carboxylate
CID 110798379
phenyl 2-benzoylpyrrolidine-1-carboxylate
CID 110357683
ethyl 1-(5-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 115900329
ethyl 1-[2-[1-(4-fluorobenzoyl)piperidine-3-carbonyl]oxyacetyl]piperidine-2-carboxylate
CID 55473641

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-fluorobenzoyl)pyrrolidine-1-carboxylate?
The IUPAC name of ethyl 2-(4-fluorobenzoyl)pyrrolidine-1-carboxylate (CID 19772086) is ethyl 2-(4-fluorobenzoyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for ethyl 2-(4-fluorobenzoyl)pyrrolidine-1-carboxylate?
The canonical SMILES for ethyl 2-(4-fluorobenzoyl)pyrrolidine-1-carboxylate is CCOC(=O)N1CCCC1C(=O)c1ccc(F)cc1.
What is the InChIKey of ethyl 2-(4-fluorobenzoyl)pyrrolidine-1-carboxylate?
The InChIKey is WJGKYFGVNSMEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c1-2-19-14(18)16-9-3-4-12(16)13(17)10-5-7-11(15)8-6-10/h5-8,12H,2-4,9H2,1H3.
What are the key properties of ethyl 2-(4-fluorobenzoyl)pyrrolidine-1-carboxylate?
ethyl 2-(4-fluorobenzoyl)pyrrolidine-1-carboxylate has a molecular weight of 265.28 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-fluorobenzoyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 19772086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).