(3R)-3-methyl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione

C12H10F3NO3 — CID 6925391

IUPAC(3R)-3-methyl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione
SMILESC[C@@H]1CC(=O)N(c2ccccc2OC(F)(F)F)C1=O
InChIInChI=1S/C12H10F3NO3/c1-7-6-10(17)16(11(7)18)8-4-2-3-5-9(8)19-12(13,14)15/h2-5,7H,6H2,1H3/t7-/m1/s1
InChIKeyJOFZIIOLUSMLTI-SSDOTTSWSA-N
MW273.21 g/mol
LogP2.48
Rot. Bonds2

About (3R)-3-methyl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione

(3R)-3-methyl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione (PubChem CID 6925391) has the molecular formula C12H10F3NO3 and a molecular weight of 273.21 g/mol. Its IUPAC name is (3R)-3-methyl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-methyl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione
PubChem CID6925391
Molecular FormulaC12H10F3NO3
Molecular Weight273.21 g/mol
Exact Mass273.06
IUPAC Name(3R)-3-methyl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione
SMILESC[C@@H]1CC(=O)N(c2ccccc2OC(F)(F)F)C1=O
InChIInChI=1S/C12H10F3NO3/c1-7-6-10(17)16(11(7)18)8-4-2-3-5-9(8)19-12(13,14)15/h2-5,7H,6H2,1H3/t7-/m1/s1
InChIKeyJOFZIIOLUSMLTI-SSDOTTSWSA-N
XLogP2.48
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methyl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-methyl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione (CID 6925391) is (3R)-3-methyl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-methyl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-methyl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione is C[C@@H]1CC(=O)N(c2ccccc2OC(F)(F)F)C1=O.
What is the InChIKey of (3R)-3-methyl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione?
The InChIKey is JOFZIIOLUSMLTI-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H10F3NO3/c1-7-6-10(17)16(11(7)18)8-4-2-3-5-9(8)19-12(13,14)15/h2-5,7H,6H2,1H3/t7-/m1/s1.
What are the key properties of (3R)-3-methyl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione?
(3R)-3-methyl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione has a molecular weight of 273.21 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 6925391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).