methyl 2-[[2-oxo-2-(2,2,3,3,3-pentafluoropropoxy)ethyl]carbamoyl]pyrrolidine-1-carboxylate

C12H15F5N2O5 — CID 91713190

IUPACmethyl 2-[[2-oxo-2-(2,2,3,3,3-pentafluoropropoxy)ethyl]carbamoyl]pyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCCC1C(=O)NCC(=O)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C12H15F5N2O5/c1-23-10(22)19-4-2-3-7(19)9(21)18-5-8(20)24-6-11(13,14)12(15,16)17/h7H,2-6H2,1H3,(H,18,21)
InChIKeyDJMYYOUBUVFOFD-UHFFFAOYSA-N
MW362.25 g/mol
LogP1.07
Rot. Bonds5

About methyl 2-[[2-oxo-2-(2,2,3,3,3-pentafluoropropoxy)ethyl]carbamoyl]pyrrolidine-1-carboxylate

methyl 2-[[2-oxo-2-(2,2,3,3,3-pentafluoropropoxy)ethyl]carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 91713190) has the molecular formula C12H15F5N2O5 and a molecular weight of 362.25 g/mol. Its IUPAC name is methyl 2-[[2-oxo-2-(2,2,3,3,3-pentafluoropropoxy)ethyl]carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-oxo-2-(2,2,3,3,3-pentafluoropropoxy)ethyl]carbamoyl]pyrrolidine-1-carboxylate
PubChem CID91713190
Molecular FormulaC12H15F5N2O5
Molecular Weight362.25 g/mol
Exact Mass362.09
IUPAC Namemethyl 2-[[2-oxo-2-(2,2,3,3,3-pentafluoropropoxy)ethyl]carbamoyl]pyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCCC1C(=O)NCC(=O)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C12H15F5N2O5/c1-23-10(22)19-4-2-3-7(19)9(21)18-5-8(20)24-6-11(13,14)12(15,16)17/h7H,2-6H2,1H3,(H,18,21)
InChIKeyDJMYYOUBUVFOFD-UHFFFAOYSA-N
XLogP1.07
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.25
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze methyl 2-[[2-oxo-2-(2,2,3,3,3-pentafluoropropoxy)ethyl]carbamoyl]pyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-oxo-2-(2,2,3,3,3-pentafluoropropoxy)ethyl]carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of methyl 2-[[2-oxo-2-(2,2,3,3,3-pentafluoropropoxy)ethyl]carbamoyl]pyrrolidine-1-carboxylate (CID 91713190) is methyl 2-[[2-oxo-2-(2,2,3,3,3-pentafluoropropoxy)ethyl]carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for methyl 2-[[2-oxo-2-(2,2,3,3,3-pentafluoropropoxy)ethyl]carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for methyl 2-[[2-oxo-2-(2,2,3,3,3-pentafluoropropoxy)ethyl]carbamoyl]pyrrolidine-1-carboxylate is COC(=O)N1CCCC1C(=O)NCC(=O)OCC(F)(F)C(F)(F)F.
What is the InChIKey of methyl 2-[[2-oxo-2-(2,2,3,3,3-pentafluoropropoxy)ethyl]carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is DJMYYOUBUVFOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F5N2O5/c1-23-10(22)19-4-2-3-7(19)9(21)18-5-8(20)24-6-11(13,14)12(15,16)17/h7H,2-6H2,1H3,(H,18,21).
What are the key properties of methyl 2-[[2-oxo-2-(2,2,3,3,3-pentafluoropropoxy)ethyl]carbamoyl]pyrrolidine-1-carboxylate?
methyl 2-[[2-oxo-2-(2,2,3,3,3-pentafluoropropoxy)ethyl]carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 362.25 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-oxo-2-(2,2,3,3,3-pentafluoropropoxy)ethyl]carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 91713190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).