3-[(5-chloro-2-fluorophenyl)methyl]pyrrolidin-2-one

C11H11ClFNO — CID 103052236

IUPAC3-[(5-chloro-2-fluorophenyl)methyl]pyrrolidin-2-one
SMILESO=C1NCCC1Cc1cc(Cl)ccc1F
InChIInChI=1S/C11H11ClFNO/c12-9-1-2-10(13)8(6-9)5-7-3-4-14-11(7)15/h1-2,6-7H,3-5H2,(H,14,15)
InChIKeyJGUNKZVXILQRMU-UHFFFAOYSA-N
MW227.67 g/mol
LogP2.16
Rot. Bonds2

About 3-[(5-chloro-2-fluorophenyl)methyl]pyrrolidin-2-one

3-[(5-chloro-2-fluorophenyl)methyl]pyrrolidin-2-one (PubChem CID 103052236) has the molecular formula C11H11ClFNO and a molecular weight of 227.67 g/mol. Its IUPAC name is 3-[(5-chloro-2-fluorophenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[(5-chloro-2-fluorophenyl)methyl]pyrrolidin-2-one
PubChem CID103052236
Molecular FormulaC11H11ClFNO
Molecular Weight227.67 g/mol
Exact Mass227.05
IUPAC Name3-[(5-chloro-2-fluorophenyl)methyl]pyrrolidin-2-one
SMILESO=C1NCCC1Cc1cc(Cl)ccc1F
InChIInChI=1S/C11H11ClFNO/c12-9-1-2-10(13)8(6-9)5-7-3-4-14-11(7)15/h1-2,6-7H,3-5H2,(H,14,15)
InChIKeyJGUNKZVXILQRMU-UHFFFAOYSA-N
XLogP2.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.67
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-fluorophenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 3-[(5-chloro-2-fluorophenyl)methyl]pyrrolidin-2-one (CID 103052236) is 3-[(5-chloro-2-fluorophenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 3-[(5-chloro-2-fluorophenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 3-[(5-chloro-2-fluorophenyl)methyl]pyrrolidin-2-one is O=C1NCCC1Cc1cc(Cl)ccc1F.
What is the InChIKey of 3-[(5-chloro-2-fluorophenyl)methyl]pyrrolidin-2-one?
The InChIKey is JGUNKZVXILQRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO/c12-9-1-2-10(13)8(6-9)5-7-3-4-14-11(7)15/h1-2,6-7H,3-5H2,(H,14,15).
What are the key properties of 3-[(5-chloro-2-fluorophenyl)methyl]pyrrolidin-2-one?
3-[(5-chloro-2-fluorophenyl)methyl]pyrrolidin-2-one has a molecular weight of 227.67 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-fluorophenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 103052236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).