(3R)-3-(2-fluorophenyl)-1-methylpyrrolidine-2,5-dione

C11H10FNO2 — CID 72711344

IUPAC(3R)-3-(2-fluorophenyl)-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)C[C@H](c2ccccc2F)C1=O
InChIInChI=1S/C11H10FNO2/c1-13-10(14)6-8(11(13)15)7-4-2-3-5-9(7)12/h2-5,8H,6H2,1H3/t8-/m1/s1
InChIKeyAUSSPKJOGIWNSL-MRVPVSSYSA-N
MW207.20 g/mol
LogP1.30
Rot. Bonds1

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

(3R)-3-(2-fluorophenyl)-1-methylpyrrolidine-2,5-dione (PubChem CID 72711344) has the molecular formula C11H10FNO2 and a molecular weight of 207.20 g/mol. Its IUPAC name is (3R)-3-(2-fluorophenyl)-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(2-fluorophenyl)-1-methylpyrrolidine-2,5-dione
PubChem CID72711344
Molecular FormulaC11H10FNO2
Molecular Weight207.20 g/mol
Exact Mass207.07
IUPAC Name(3R)-3-(2-fluorophenyl)-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)C[C@H](c2ccccc2F)C1=O
InChIInChI=1S/C11H10FNO2/c1-13-10(14)6-8(11(13)15)7-4-2-3-5-9(7)12/h2-5,8H,6H2,1H3/t8-/m1/s1
InChIKeyAUSSPKJOGIWNSL-MRVPVSSYSA-N
XLogP1.30
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.30
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)-3-(2-fluorophenyl)-1-methylpyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-(2-fluorophenyl)-1-methylpyrrolidine-2,5-dione (CID 72711344) is (3R)-3-(2-fluorophenyl)-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-(2-fluorophenyl)-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-(2-fluorophenyl)-1-methylpyrrolidine-2,5-dione is CN1C(=O)C[C@H](c2ccccc2F)C1=O.
What is the InChIKey of (3R)-3-(2-fluorophenyl)-1-methylpyrrolidine-2,5-dione?
The InChIKey is AUSSPKJOGIWNSL-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H10FNO2/c1-13-10(14)6-8(11(13)15)7-4-2-3-5-9(7)12/h2-5,8H,6H2,1H3/t8-/m1/s1.
What are the key properties of (3R)-3-(2-fluorophenyl)-1-methylpyrrolidine-2,5-dione?
(3R)-3-(2-fluorophenyl)-1-methylpyrrolidine-2,5-dione has a molecular weight of 207.20 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-fluorophenyl)-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 72711344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).