[2-(2,5-difluorophenyl)-4-oxopyrrolidin-1-yl] 2,2-dimethylpropanoate

C15H17F2NO3 — CID 174961187

IUPAC[2-(2,5-difluorophenyl)-4-oxopyrrolidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CC(=O)CC1c1cc(F)ccc1F
InChIInChI=1S/C15H17F2NO3/c1-15(2,3)14(20)21-18-8-10(19)7-13(18)11-6-9(16)4-5-12(11)17/h4-6,13H,7-8H2,1-3H3
InChIKeyKAKIPQVYSBQONM-UHFFFAOYSA-N
MW297.30 g/mol
LogP2.79
Rot. Bonds2

About [2-(2,5-difluorophenyl)-4-oxopyrrolidin-1-yl] 2,2-dimethylpropanoate

[2-(2,5-difluorophenyl)-4-oxopyrrolidin-1-yl] 2,2-dimethylpropanoate (PubChem CID 174961187) has the molecular formula C15H17F2NO3 and a molecular weight of 297.30 g/mol. Its IUPAC name is [2-(2,5-difluorophenyl)-4-oxopyrrolidin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[2-(2,5-difluorophenyl)-4-oxopyrrolidin-1-yl] 2,2-dimethylpropanoate
PubChem CID174961187
Molecular FormulaC15H17F2NO3
Molecular Weight297.30 g/mol
Exact Mass297.12
IUPAC Name[2-(2,5-difluorophenyl)-4-oxopyrrolidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CC(=O)CC1c1cc(F)ccc1F
InChIInChI=1S/C15H17F2NO3/c1-15(2,3)14(20)21-18-8-10(19)7-13(18)11-6-9(16)4-5-12(11)17/h4-6,13H,7-8H2,1-3H3
InChIKeyKAKIPQVYSBQONM-UHFFFAOYSA-N
XLogP2.79
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2,5-difluorophenyl)-4-oxopyrrolidin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [2-(2,5-difluorophenyl)-4-oxopyrrolidin-1-yl] 2,2-dimethylpropanoate (CID 174961187) is [2-(2,5-difluorophenyl)-4-oxopyrrolidin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [2-(2,5-difluorophenyl)-4-oxopyrrolidin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [2-(2,5-difluorophenyl)-4-oxopyrrolidin-1-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)ON1CC(=O)CC1c1cc(F)ccc1F.
What is the InChIKey of [2-(2,5-difluorophenyl)-4-oxopyrrolidin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is KAKIPQVYSBQONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO3/c1-15(2,3)14(20)21-18-8-10(19)7-13(18)11-6-9(16)4-5-12(11)17/h4-6,13H,7-8H2,1-3H3.
What are the key properties of [2-(2,5-difluorophenyl)-4-oxopyrrolidin-1-yl] 2,2-dimethylpropanoate?
[2-(2,5-difluorophenyl)-4-oxopyrrolidin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 297.30 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-difluorophenyl)-4-oxopyrrolidin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174961187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).