N-(2,2-difluoro-3-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide

C8H12F2N2O3 — CID 104857795

IUPACN-(2,2-difluoro-3-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)NCC(F)(F)CO)CN1
InChIInChI=1S/C8H12F2N2O3/c9-8(10,4-13)3-12-7(15)5-1-6(14)11-2-5/h5,13H,1-4H2,(H,11,14)(H,12,15)
InChIKeyRVIPYODFNNQBBZ-UHFFFAOYSA-N
MW222.19 g/mol
LogP-1.13
Rot. Bonds4

About N-(2,2-difluoro-3-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 104857795) has the molecular formula C8H12F2N2O3 and a molecular weight of 222.19 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID104857795
Molecular FormulaC8H12F2N2O3
Molecular Weight222.19 g/mol
Exact Mass222.08
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)NCC(F)(F)CO)CN1
InChIInChI=1S/C8H12F2N2O3/c9-8(10,4-13)3-12-7(15)5-1-6(14)11-2-5/h5,13H,1-4H2,(H,11,14)(H,12,15)
InChIKeyRVIPYODFNNQBBZ-UHFFFAOYSA-N
XLogP-1.13
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.19
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide (CID 104857795) is N-(2,2-difluoro-3-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide is O=C1CC(C(=O)NCC(F)(F)CO)CN1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RVIPYODFNNQBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O3/c9-8(10,4-13)3-12-7(15)5-1-6(14)11-2-5/h5,13H,1-4H2,(H,11,14)(H,12,15).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 222.19 g/mol, XLogP of -1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 104857795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).