1-[2-(2-fluoro-4,5-dimethylphenyl)ethyl]pyrrolidine-2,5-dione

C14H16FNO2 — CID 122549363

IUPAC1-[2-(2-fluoro-4,5-dimethylphenyl)ethyl]pyrrolidine-2,5-dione
SMILESCc1cc(F)c(CCN2C(=O)CCC2=O)cc1C
InChIInChI=1S/C14H16FNO2/c1-9-7-11(12(15)8-10(9)2)5-6-16-13(17)3-4-14(16)18/h7-8H,3-6H2,1-2H3
InChIKeyCOIKXQYBUOFAAR-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.13
Rot. Bonds3

About 1-[2-(2-fluoro-4,5-dimethylphenyl)ethyl]pyrrolidine-2,5-dione

1-[2-(2-fluoro-4,5-dimethylphenyl)ethyl]pyrrolidine-2,5-dione (PubChem CID 122549363) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is 1-[2-(2-fluoro-4,5-dimethylphenyl)ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(2-fluoro-4,5-dimethylphenyl)ethyl]pyrrolidine-2,5-dione
PubChem CID122549363
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC Name1-[2-(2-fluoro-4,5-dimethylphenyl)ethyl]pyrrolidine-2,5-dione
SMILESCc1cc(F)c(CCN2C(=O)CCC2=O)cc1C
InChIInChI=1S/C14H16FNO2/c1-9-7-11(12(15)8-10(9)2)5-6-16-13(17)3-4-14(16)18/h7-8H,3-6H2,1-2H3
InChIKeyCOIKXQYBUOFAAR-UHFFFAOYSA-N
XLogP2.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

CID 95826
CID 95826
CID 161812
CID 161812
CID 162904
CID 162904
CID 3042605
CID 3042605
CID 53342173
CID 53342173
CID 71861614
CID 71861614
CID 169592
CID 169592
CID 58461754
CID 58461754
CID 86575891
CID 86575891
CID 72711344
CID 72711344
CID 92966073
CID 92966073
CID 134917960
CID 134917960

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoro-4,5-dimethylphenyl)ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(2-fluoro-4,5-dimethylphenyl)ethyl]pyrrolidine-2,5-dione (CID 122549363) is 1-[2-(2-fluoro-4,5-dimethylphenyl)ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(2-fluoro-4,5-dimethylphenyl)ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(2-fluoro-4,5-dimethylphenyl)ethyl]pyrrolidine-2,5-dione is Cc1cc(F)c(CCN2C(=O)CCC2=O)cc1C.
What is the InChIKey of 1-[2-(2-fluoro-4,5-dimethylphenyl)ethyl]pyrrolidine-2,5-dione?
The InChIKey is COIKXQYBUOFAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c1-9-7-11(12(15)8-10(9)2)5-6-16-13(17)3-4-14(16)18/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-[2-(2-fluoro-4,5-dimethylphenyl)ethyl]pyrrolidine-2,5-dione?
1-[2-(2-fluoro-4,5-dimethylphenyl)ethyl]pyrrolidine-2,5-dione has a molecular weight of 249.28 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoro-4,5-dimethylphenyl)ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 122549363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).