propyl 1-(2-fluorobenzoyl)pyrrolidine-2-carboxylate

C15H18FNO3 — CID 91711961

IUPACpropyl 1-(2-fluorobenzoyl)pyrrolidine-2-carboxylate
SMILESCCCOC(=O)C1CCCN1C(=O)c1ccccc1F
InChIInChI=1S/C15H18FNO3/c1-2-10-20-15(19)13-8-5-9-17(13)14(18)11-6-3-4-7-12(11)16/h3-4,6-7,13H,2,5,8-10H2,1H3
InChIKeyAUOQPPVLKKUODF-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.38
Rot. Bonds4

About propyl 1-(2-fluorobenzoyl)pyrrolidine-2-carboxylate

propyl 1-(2-fluorobenzoyl)pyrrolidine-2-carboxylate (PubChem CID 91711961) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is propyl 1-(2-fluorobenzoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namepropyl 1-(2-fluorobenzoyl)pyrrolidine-2-carboxylate
PubChem CID91711961
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Namepropyl 1-(2-fluorobenzoyl)pyrrolidine-2-carboxylate
SMILESCCCOC(=O)C1CCCN1C(=O)c1ccccc1F
InChIInChI=1S/C15H18FNO3/c1-2-10-20-15(19)13-8-5-9-17(13)14(18)11-6-3-4-7-12(11)16/h3-4,6-7,13H,2,5,8-10H2,1H3
InChIKeyAUOQPPVLKKUODF-UHFFFAOYSA-N
XLogP2.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 60659210
heptyl 1-(2-chlorobenzoyl)pyrrolidine-2-carboxylate
CID 91716545
butyl 1-(3-chloro-2-fluorobenzoyl)pyrrolidine-2-carboxylate
CID 91736136
hexyl 1-(naphthalene-1-carbonyl)pyrrolidine-2-carboxylate
CID 91722290
ethyl (2S)-1-(2-chlorobenzoyl)pyrrolidine-2-carboxylate
CID 71431618
tetradecyl 1-(2-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 91715353
1-(2-fluorobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 61051030
hexadecyl 1-[2-fluoro-5-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxylate
CID 91739301
1-O-benzyl 2-O-propyl pyrrolidine-1,2-dicarboxylate
CID 91699700
butyl 1-(3-fluorobenzoyl)pyrrolidine-2-carboxylate
CID 91711971
butyl 1-(2,3,4,5,6-pentafluorobenzoyl)pyrrolidine-2-carboxylate
CID 14205741
ethyl 1-(4-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 75925808

Frequently Asked Questions

What is the IUPAC name of propyl 1-(2-fluorobenzoyl)pyrrolidine-2-carboxylate?
The IUPAC name of propyl 1-(2-fluorobenzoyl)pyrrolidine-2-carboxylate (CID 91711961) is propyl 1-(2-fluorobenzoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for propyl 1-(2-fluorobenzoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for propyl 1-(2-fluorobenzoyl)pyrrolidine-2-carboxylate is CCCOC(=O)C1CCCN1C(=O)c1ccccc1F.
What is the InChIKey of propyl 1-(2-fluorobenzoyl)pyrrolidine-2-carboxylate?
The InChIKey is AUOQPPVLKKUODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-2-10-20-15(19)13-8-5-9-17(13)14(18)11-6-3-4-7-12(11)16/h3-4,6-7,13H,2,5,8-10H2,1H3.
What are the key properties of propyl 1-(2-fluorobenzoyl)pyrrolidine-2-carboxylate?
propyl 1-(2-fluorobenzoyl)pyrrolidine-2-carboxylate has a molecular weight of 279.31 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 1-(2-fluorobenzoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 91711961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).