4-(2,5-difluorophenyl)-4,5-dimethylpyrrolidin-2-one

C12H13F2NO — CID 66107191

IUPAC4-(2,5-difluorophenyl)-4,5-dimethylpyrrolidin-2-one
SMILESCC1NC(=O)CC1(C)c1cc(F)ccc1F
InChIInChI=1S/C12H13F2NO/c1-7-12(2,6-11(16)15-7)9-5-8(13)3-4-10(9)14/h3-5,7H,6H2,1-2H3,(H,15,16)
InChIKeyNAKLRIVXSRDYBA-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.13
Rot. Bonds1

About 4-(2,5-difluorophenyl)-4,5-dimethylpyrrolidin-2-one

4-(2,5-difluorophenyl)-4,5-dimethylpyrrolidin-2-one (PubChem CID 66107191) has the molecular formula C12H13F2NO and a molecular weight of 225.24 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)-4,5-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)-4,5-dimethylpyrrolidin-2-one
PubChem CID66107191
Molecular FormulaC12H13F2NO
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name4-(2,5-difluorophenyl)-4,5-dimethylpyrrolidin-2-one
SMILESCC1NC(=O)CC1(C)c1cc(F)ccc1F
InChIInChI=1S/C12H13F2NO/c1-7-12(2,6-11(16)15-7)9-5-8(13)3-4-10(9)14/h3-5,7H,6H2,1-2H3,(H,15,16)
InChIKeyNAKLRIVXSRDYBA-UHFFFAOYSA-N
XLogP2.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)-4,5-dimethylpyrrolidin-2-one?
The IUPAC name of 4-(2,5-difluorophenyl)-4,5-dimethylpyrrolidin-2-one (CID 66107191) is 4-(2,5-difluorophenyl)-4,5-dimethylpyrrolidin-2-one.
What is the SMILES notation for 4-(2,5-difluorophenyl)-4,5-dimethylpyrrolidin-2-one?
The canonical SMILES for 4-(2,5-difluorophenyl)-4,5-dimethylpyrrolidin-2-one is CC1NC(=O)CC1(C)c1cc(F)ccc1F.
What is the InChIKey of 4-(2,5-difluorophenyl)-4,5-dimethylpyrrolidin-2-one?
The InChIKey is NAKLRIVXSRDYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO/c1-7-12(2,6-11(16)15-7)9-5-8(13)3-4-10(9)14/h3-5,7H,6H2,1-2H3,(H,15,16).
What are the key properties of 4-(2,5-difluorophenyl)-4,5-dimethylpyrrolidin-2-one?
4-(2,5-difluorophenyl)-4,5-dimethylpyrrolidin-2-one has a molecular weight of 225.24 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenyl)-4,5-dimethylpyrrolidin-2-one is sourced from PubChem (CID 66107191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).