5-(2,6-difluoro-4-methylphenyl)pyrrolidin-2-one

C11H11F2NO — CID 170345682

IUPAC5-(2,6-difluoro-4-methylphenyl)pyrrolidin-2-one
SMILESCc1cc(F)c(C2CCC(=O)N2)c(F)c1
InChIInChI=1S/C11H11F2NO/c1-6-4-7(12)11(8(13)5-6)9-2-3-10(15)14-9/h4-5,9H,2-3H2,1H3,(H,14,15)
InChIKeyRCSZLSIQPRYVHF-UHFFFAOYSA-N
MW211.21 g/mol
LogP2.22
Rot. Bonds1

About 5-(2,6-difluoro-4-methylphenyl)pyrrolidin-2-one

5-(2,6-difluoro-4-methylphenyl)pyrrolidin-2-one (PubChem CID 170345682) has the molecular formula C11H11F2NO and a molecular weight of 211.21 g/mol. Its IUPAC name is 5-(2,6-difluoro-4-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(2,6-difluoro-4-methylphenyl)pyrrolidin-2-one
PubChem CID170345682
Molecular FormulaC11H11F2NO
Molecular Weight211.21 g/mol
Exact Mass211.08
IUPAC Name5-(2,6-difluoro-4-methylphenyl)pyrrolidin-2-one
SMILESCc1cc(F)c(C2CCC(=O)N2)c(F)c1
InChIInChI=1S/C11H11F2NO/c1-6-4-7(12)11(8(13)5-6)9-2-3-10(15)14-9/h4-5,9H,2-3H2,1H3,(H,14,15)
InChIKeyRCSZLSIQPRYVHF-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluoro-4-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 5-(2,6-difluoro-4-methylphenyl)pyrrolidin-2-one (CID 170345682) is 5-(2,6-difluoro-4-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(2,6-difluoro-4-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 5-(2,6-difluoro-4-methylphenyl)pyrrolidin-2-one is Cc1cc(F)c(C2CCC(=O)N2)c(F)c1.
What is the InChIKey of 5-(2,6-difluoro-4-methylphenyl)pyrrolidin-2-one?
The InChIKey is RCSZLSIQPRYVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO/c1-6-4-7(12)11(8(13)5-6)9-2-3-10(15)14-9/h4-5,9H,2-3H2,1H3,(H,14,15).
What are the key properties of 5-(2,6-difluoro-4-methylphenyl)pyrrolidin-2-one?
5-(2,6-difluoro-4-methylphenyl)pyrrolidin-2-one has a molecular weight of 211.21 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluoro-4-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 170345682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).