N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxamide

C9H14F2N2O3 — CID 107483899

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)N(CCO)CC(F)F)CN1
InChIInChI=1S/C9H14F2N2O3/c10-7(11)5-13(1-2-14)9(16)6-3-8(15)12-4-6/h6-7,14H,1-5H2,(H,12,15)
InChIKeyJCOCMYQICGQJPH-UHFFFAOYSA-N
MW236.22 g/mol
LogP-0.79
Rot. Bonds5

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 107483899) has the molecular formula C9H14F2N2O3 and a molecular weight of 236.22 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID107483899
Molecular FormulaC9H14F2N2O3
Molecular Weight236.22 g/mol
Exact Mass236.10
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)N(CCO)CC(F)F)CN1
InChIInChI=1S/C9H14F2N2O3/c10-7(11)5-13(1-2-14)9(16)6-3-8(15)12-4-6/h6-7,14H,1-5H2,(H,12,15)
InChIKeyJCOCMYQICGQJPH-UHFFFAOYSA-N
XLogP-0.79
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxamide (CID 107483899) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxamide is O=C1CC(C(=O)N(CCO)CC(F)F)CN1.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JCOCMYQICGQJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O3/c10-7(11)5-13(1-2-14)9(16)6-3-8(15)12-4-6/h6-7,14H,1-5H2,(H,12,15).
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 236.22 g/mol, XLogP of -0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 107483899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).