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

C13H14FNO3 — CID 531415

IUPACmethyl 1-(2-fluorobenzoyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1ccccc1F
InChIInChI=1S/C13H14FNO3/c1-18-13(17)11-7-4-8-15(11)12(16)9-5-2-3-6-10(9)14/h2-3,5-6,11H,4,7-8H2,1H3
InChIKeyYMNDBZPDECAGSK-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.60
Rot. Bonds2

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

methyl 1-(2-fluorobenzoyl)pyrrolidine-2-carboxylate (PubChem CID 531415) has the molecular formula C13H14FNO3 and a molecular weight of 251.26 g/mol. Its IUPAC name is methyl 1-(2-fluorobenzoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-fluorobenzoyl)pyrrolidine-2-carboxylate
PubChem CID531415
Molecular FormulaC13H14FNO3
Molecular Weight251.26 g/mol
Exact Mass251.10
IUPAC Namemethyl 1-(2-fluorobenzoyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1ccccc1F
InChIInChI=1S/C13H14FNO3/c1-18-13(17)11-7-4-8-15(11)12(16)9-5-2-3-6-10(9)14/h2-3,5-6,11H,4,7-8H2,1H3
InChIKeyYMNDBZPDECAGSK-UHFFFAOYSA-N
XLogP1.60
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-fluorobenzoyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(2-fluorobenzoyl)pyrrolidine-2-carboxylate (CID 531415) is methyl 1-(2-fluorobenzoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(2-fluorobenzoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(2-fluorobenzoyl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)c1ccccc1F.
What is the InChIKey of methyl 1-(2-fluorobenzoyl)pyrrolidine-2-carboxylate?
The InChIKey is YMNDBZPDECAGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3/c1-18-13(17)11-7-4-8-15(11)12(16)9-5-2-3-6-10(9)14/h2-3,5-6,11H,4,7-8H2,1H3.
What are the key properties of methyl 1-(2-fluorobenzoyl)pyrrolidine-2-carboxylate?
methyl 1-(2-fluorobenzoyl)pyrrolidine-2-carboxylate has a molecular weight of 251.26 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-fluorobenzoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 531415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).