3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione

C12H8F3NO3 — CID 2732747

IUPAC3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
SMILESCC1=CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O
InChIInChI=1S/C12H8F3NO3/c1-7-6-10(17)16(11(7)18)8-2-4-9(5-3-8)19-12(13,14)15/h2-6H,1H3
InChIKeySUWLRDGOOQHISD-UHFFFAOYSA-N
MW271.19 g/mol
LogP2.40
Rot. Bonds2

About 3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione

3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione (PubChem CID 2732747) has the molecular formula C12H8F3NO3 and a molecular weight of 271.19 g/mol. Its IUPAC name is 3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
PubChem CID2732747
Molecular FormulaC12H8F3NO3
Molecular Weight271.19 g/mol
Exact Mass271.05
IUPAC Name3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
SMILESCC1=CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O
InChIInChI=1S/C12H8F3NO3/c1-7-6-10(17)16(11(7)18)8-2-4-9(5-3-8)19-12(13,14)15/h2-6H,1H3
InChIKeySUWLRDGOOQHISD-UHFFFAOYSA-N
XLogP2.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.19
LogP ≤ 52.40
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 3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione?
The IUPAC name of 3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione (CID 2732747) is 3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione?
The canonical SMILES for 3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione is CC1=CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O.
What is the InChIKey of 3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione?
The InChIKey is SUWLRDGOOQHISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO3/c1-7-6-10(17)16(11(7)18)8-2-4-9(5-3-8)19-12(13,14)15/h2-6H,1H3.
What are the key properties of 3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione?
3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione has a molecular weight of 271.19 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 2732747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).