1-(2-fluoro-4-propan-2-ylphenyl)pyrrolidin-2-one

C13H16FNO — CID 118084663

IUPAC1-(2-fluoro-4-propan-2-ylphenyl)pyrrolidin-2-one
SMILESCC(C)c1ccc(N2CCCC2=O)c(F)c1
InChIInChI=1S/C13H16FNO/c1-9(2)10-5-6-12(11(14)8-10)15-7-3-4-13(15)16/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyJCALLRUWEZAFFU-UHFFFAOYSA-N
MW221.28 g/mol
LogP3.08
Rot. Bonds2

About 1-(2-fluoro-4-propan-2-ylphenyl)pyrrolidin-2-one

1-(2-fluoro-4-propan-2-ylphenyl)pyrrolidin-2-one (PubChem CID 118084663) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is 1-(2-fluoro-4-propan-2-ylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-fluoro-4-propan-2-ylphenyl)pyrrolidin-2-one
PubChem CID118084663
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name1-(2-fluoro-4-propan-2-ylphenyl)pyrrolidin-2-one
SMILESCC(C)c1ccc(N2CCCC2=O)c(F)c1
InChIInChI=1S/C13H16FNO/c1-9(2)10-5-6-12(11(14)8-10)15-7-3-4-13(15)16/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyJCALLRUWEZAFFU-UHFFFAOYSA-N
XLogP3.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-propan-2-ylphenyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-fluoro-4-propan-2-ylphenyl)pyrrolidin-2-one (CID 118084663) is 1-(2-fluoro-4-propan-2-ylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-fluoro-4-propan-2-ylphenyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-fluoro-4-propan-2-ylphenyl)pyrrolidin-2-one is CC(C)c1ccc(N2CCCC2=O)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-propan-2-ylphenyl)pyrrolidin-2-one?
The InChIKey is JCALLRUWEZAFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-9(2)10-5-6-12(11(14)8-10)15-7-3-4-13(15)16/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of 1-(2-fluoro-4-propan-2-ylphenyl)pyrrolidin-2-one?
1-(2-fluoro-4-propan-2-ylphenyl)pyrrolidin-2-one has a molecular weight of 221.28 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-propan-2-ylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 118084663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).