5-(3,3-difluoropyrrolidine-1-carbonyl)-1H-pyridin-2-one

C10H10F2N2O2 — CID 122269141

IUPAC5-(3,3-difluoropyrrolidine-1-carbonyl)-1H-pyridin-2-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CCC(F)(F)C1
InChIInChI=1S/C10H10F2N2O2/c11-10(12)3-4-14(6-10)9(16)7-1-2-8(15)13-5-7/h1-2,5H,3-4,6H2,(H,13,15)
InChIKeyWHHICQCGDLWPKW-UHFFFAOYSA-N
MW228.20 g/mol
LogP0.86
Rot. Bonds1

About 5-(3,3-difluoropyrrolidine-1-carbonyl)-1H-pyridin-2-one

5-(3,3-difluoropyrrolidine-1-carbonyl)-1H-pyridin-2-one (PubChem CID 122269141) has the molecular formula C10H10F2N2O2 and a molecular weight of 228.20 g/mol. Its IUPAC name is 5-(3,3-difluoropyrrolidine-1-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(3,3-difluoropyrrolidine-1-carbonyl)-1H-pyridin-2-one
PubChem CID122269141
Molecular FormulaC10H10F2N2O2
Molecular Weight228.20 g/mol
Exact Mass228.07
IUPAC Name5-(3,3-difluoropyrrolidine-1-carbonyl)-1H-pyridin-2-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CCC(F)(F)C1
InChIInChI=1S/C10H10F2N2O2/c11-10(12)3-4-14(6-10)9(16)7-1-2-8(15)13-5-7/h1-2,5H,3-4,6H2,(H,13,15)
InChIKeyWHHICQCGDLWPKW-UHFFFAOYSA-N
XLogP0.86
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3-difluoropyrrolidine-1-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 5-(3,3-difluoropyrrolidine-1-carbonyl)-1H-pyridin-2-one (CID 122269141) is 5-(3,3-difluoropyrrolidine-1-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(3,3-difluoropyrrolidine-1-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(3,3-difluoropyrrolidine-1-carbonyl)-1H-pyridin-2-one is O=C(c1ccc(=O)[nH]c1)N1CCC(F)(F)C1.
What is the InChIKey of 5-(3,3-difluoropyrrolidine-1-carbonyl)-1H-pyridin-2-one?
The InChIKey is WHHICQCGDLWPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O2/c11-10(12)3-4-14(6-10)9(16)7-1-2-8(15)13-5-7/h1-2,5H,3-4,6H2,(H,13,15).
What are the key properties of 5-(3,3-difluoropyrrolidine-1-carbonyl)-1H-pyridin-2-one?
5-(3,3-difluoropyrrolidine-1-carbonyl)-1H-pyridin-2-one has a molecular weight of 228.20 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-difluoropyrrolidine-1-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 122269141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).