1-[(4-fluorophenyl)methyl]pyrrolidin-2-one

C11H12FNO — CID 3045446

IUPAC1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1ccc(F)cc1
InChIInChI=1S/C11H12FNO/c12-10-5-3-9(4-6-10)8-13-7-1-2-11(13)14/h3-6H,1-2,7-8H2
InChIKeyKZKRGOSWLGSOEZ-UHFFFAOYSA-N
MW193.22 g/mol
LogP1.95
Rot. Bonds2

About 1-[(4-fluorophenyl)methyl]pyrrolidin-2-one

1-[(4-fluorophenyl)methyl]pyrrolidin-2-one (PubChem CID 3045446) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
PubChem CID3045446
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1ccc(F)cc1
InChIInChI=1S/C11H12FNO/c12-10-5-3-9(4-6-10)8-13-7-1-2-11(13)14/h3-6H,1-2,7-8H2
InChIKeyKZKRGOSWLGSOEZ-UHFFFAOYSA-N
XLogP1.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]pyrrolidin-2-one (CID 3045446) is 1-[(4-fluorophenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]pyrrolidin-2-one is O=C1CCCN1Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]pyrrolidin-2-one?
The InChIKey is KZKRGOSWLGSOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c12-10-5-3-9(4-6-10)8-13-7-1-2-11(13)14/h3-6H,1-2,7-8H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]pyrrolidin-2-one?
1-[(4-fluorophenyl)methyl]pyrrolidin-2-one has a molecular weight of 193.22 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 3045446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).