4-(3-chloro-4-fluorophenyl)-5-methylpyrrolidin-2-one

C11H11ClFNO — CID 81156956

IUPAC4-(3-chloro-4-fluorophenyl)-5-methylpyrrolidin-2-one
SMILESCC1NC(=O)CC1c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H11ClFNO/c1-6-8(5-11(15)14-6)7-2-3-10(13)9(12)4-7/h2-4,6,8H,5H2,1H3,(H,14,15)
InChIKeyJXZXCHOFIRUQFV-UHFFFAOYSA-N
MW227.67 g/mol
LogP2.47
Rot. Bonds1

About 4-(3-chloro-4-fluorophenyl)-5-methylpyrrolidin-2-one

4-(3-chloro-4-fluorophenyl)-5-methylpyrrolidin-2-one (PubChem CID 81156956) has the molecular formula C11H11ClFNO and a molecular weight of 227.67 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)-5-methylpyrrolidin-2-one
PubChem CID81156956
Molecular FormulaC11H11ClFNO
Molecular Weight227.67 g/mol
Exact Mass227.05
IUPAC Name4-(3-chloro-4-fluorophenyl)-5-methylpyrrolidin-2-one
SMILESCC1NC(=O)CC1c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H11ClFNO/c1-6-8(5-11(15)14-6)7-2-3-10(13)9(12)4-7/h2-4,6,8H,5H2,1H3,(H,14,15)
InChIKeyJXZXCHOFIRUQFV-UHFFFAOYSA-N
XLogP2.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.67
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenyl)-5-methylpyrrolidin-2-one?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)-5-methylpyrrolidin-2-one (CID 81156956) is 4-(3-chloro-4-fluorophenyl)-5-methylpyrrolidin-2-one.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)-5-methylpyrrolidin-2-one?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)-5-methylpyrrolidin-2-one is CC1NC(=O)CC1c1ccc(F)c(Cl)c1.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)-5-methylpyrrolidin-2-one?
The InChIKey is JXZXCHOFIRUQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO/c1-6-8(5-11(15)14-6)7-2-3-10(13)9(12)4-7/h2-4,6,8H,5H2,1H3,(H,14,15).
What are the key properties of 4-(3-chloro-4-fluorophenyl)-5-methylpyrrolidin-2-one?
4-(3-chloro-4-fluorophenyl)-5-methylpyrrolidin-2-one has a molecular weight of 227.67 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenyl)-5-methylpyrrolidin-2-one is sourced from PubChem (CID 81156956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).