4-(3,5-difluorophenyl)-5-methylpyrrolidin-2-one

C11H11F2NO — CID 106534465

IUPAC4-(3,5-difluorophenyl)-5-methylpyrrolidin-2-one
SMILESCC1NC(=O)CC1c1cc(F)cc(F)c1
InChIInChI=1S/C11H11F2NO/c1-6-10(5-11(15)14-6)7-2-8(12)4-9(13)3-7/h2-4,6,10H,5H2,1H3,(H,14,15)
InChIKeyUTURJHWZCLMFDG-UHFFFAOYSA-N
MW211.21 g/mol
LogP1.96
Rot. Bonds1

About 4-(3,5-difluorophenyl)-5-methylpyrrolidin-2-one

4-(3,5-difluorophenyl)-5-methylpyrrolidin-2-one (PubChem CID 106534465) has the molecular formula C11H11F2NO and a molecular weight of 211.21 g/mol. Its IUPAC name is 4-(3,5-difluorophenyl)-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(3,5-difluorophenyl)-5-methylpyrrolidin-2-one
PubChem CID106534465
Molecular FormulaC11H11F2NO
Molecular Weight211.21 g/mol
Exact Mass211.08
IUPAC Name4-(3,5-difluorophenyl)-5-methylpyrrolidin-2-one
SMILESCC1NC(=O)CC1c1cc(F)cc(F)c1
InChIInChI=1S/C11H11F2NO/c1-6-10(5-11(15)14-6)7-2-8(12)4-9(13)3-7/h2-4,6,10H,5H2,1H3,(H,14,15)
InChIKeyUTURJHWZCLMFDG-UHFFFAOYSA-N
XLogP1.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-chloro-4-fluorophenyl)-5-methylpyrrolidin-2-one
CID 81156956
4-(3-fluoro-4-methylphenyl)-5-methylpyrrolidin-2-one
CID 66109341
4-(3,5-difluorophenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 106534521
4-(4-methoxyphenyl)-5-methylpyrrolidin-2-one
CID 13427349
carbon dioxide;(4R,5S)-5-methyl-4-(4-methylphenyl)pyrrolidin-2-one
CID 157327473
5-methyl-4-(4-phenylphenyl)pyrrolidin-2-one
CID 66106755
(5R)-5-(3,5-difluorophenyl)pyrrolidin-2-one
CID 130659589
4-(3-chloro-5-fluorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one
CID 114455007
4-[3-(methoxymethyl)phenyl]-5-methylpyrrolidin-2-one
CID 66106095
ethyl 3-(3-chloro-5-fluorophenyl)-5-oxopyrrolidine-2-carboxylate
CID 105360365
4-(furan-2-yl)-5-methylpyrrolidin-2-one
CID 66108911
(5S,6R)-6-methyl-5-phenylpiperidin-2-one
CID 134491126

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluorophenyl)-5-methylpyrrolidin-2-one?
The IUPAC name of 4-(3,5-difluorophenyl)-5-methylpyrrolidin-2-one (CID 106534465) is 4-(3,5-difluorophenyl)-5-methylpyrrolidin-2-one.
What is the SMILES notation for 4-(3,5-difluorophenyl)-5-methylpyrrolidin-2-one?
The canonical SMILES for 4-(3,5-difluorophenyl)-5-methylpyrrolidin-2-one is CC1NC(=O)CC1c1cc(F)cc(F)c1.
What is the InChIKey of 4-(3,5-difluorophenyl)-5-methylpyrrolidin-2-one?
The InChIKey is UTURJHWZCLMFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO/c1-6-10(5-11(15)14-6)7-2-8(12)4-9(13)3-7/h2-4,6,10H,5H2,1H3,(H,14,15).
What are the key properties of 4-(3,5-difluorophenyl)-5-methylpyrrolidin-2-one?
4-(3,5-difluorophenyl)-5-methylpyrrolidin-2-one has a molecular weight of 211.21 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluorophenyl)-5-methylpyrrolidin-2-one is sourced from PubChem (CID 106534465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).