(3R)-1-ethyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione

C12H12FNO2 — CID 92966073

IUPAC(3R)-1-ethyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione
SMILESCCN1C(=O)C[C@H](c2cccc(F)c2)C1=O
InChIInChI=1S/C12H12FNO2/c1-2-14-11(15)7-10(12(14)16)8-4-3-5-9(13)6-8/h3-6,10H,2,7H2,1H3/t10-/m1/s1
InChIKeyZUWFBBIMPISIPM-SNVBAGLBSA-N
MW221.23 g/mol
LogP1.69
Rot. Bonds2

About (3R)-1-ethyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione

(3R)-1-ethyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione (PubChem CID 92966073) has the molecular formula C12H12FNO2 and a molecular weight of 221.23 g/mol. Its IUPAC name is (3R)-1-ethyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-ethyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione
PubChem CID92966073
Molecular FormulaC12H12FNO2
Molecular Weight221.23 g/mol
Exact Mass221.09
IUPAC Name(3R)-1-ethyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione
SMILESCCN1C(=O)C[C@H](c2cccc(F)c2)C1=O
InChIInChI=1S/C12H12FNO2/c1-2-14-11(15)7-10(12(14)16)8-4-3-5-9(13)6-8/h3-6,10H,2,7H2,1H3/t10-/m1/s1
InChIKeyZUWFBBIMPISIPM-SNVBAGLBSA-N
XLogP1.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-ethyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-ethyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione (CID 92966073) is (3R)-1-ethyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-ethyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-ethyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione is CCN1C(=O)C[C@H](c2cccc(F)c2)C1=O.
What is the InChIKey of (3R)-1-ethyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione?
The InChIKey is ZUWFBBIMPISIPM-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H12FNO2/c1-2-14-11(15)7-10(12(14)16)8-4-3-5-9(13)6-8/h3-6,10H,2,7H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-1-ethyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione?
(3R)-1-ethyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione has a molecular weight of 221.23 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-ethyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 92966073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).