3-[3-(difluoromethoxy)phenyl]-3-methylpyrrolidine-2,5-dione

C12H11F2NO3 — CID 43332655

IUPAC3-[3-(difluoromethoxy)phenyl]-3-methylpyrrolidine-2,5-dione
SMILESCC1(c2cccc(OC(F)F)c2)CC(=O)NC1=O
InChIInChI=1S/C12H11F2NO3/c1-12(6-9(16)15-10(12)17)7-3-2-4-8(5-7)18-11(13)14/h2-5,11H,6H2,1H3,(H,15,16,17)
InChIKeyXHZZNSKSKUHZAZ-UHFFFAOYSA-N
MW255.22 g/mol
LogP1.59
Rot. Bonds3

About 3-[3-(difluoromethoxy)phenyl]-3-methylpyrrolidine-2,5-dione

3-[3-(difluoromethoxy)phenyl]-3-methylpyrrolidine-2,5-dione (PubChem CID 43332655) has the molecular formula C12H11F2NO3 and a molecular weight of 255.22 g/mol. Its IUPAC name is 3-[3-(difluoromethoxy)phenyl]-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[3-(difluoromethoxy)phenyl]-3-methylpyrrolidine-2,5-dione
PubChem CID43332655
Molecular FormulaC12H11F2NO3
Molecular Weight255.22 g/mol
Exact Mass255.07
IUPAC Name3-[3-(difluoromethoxy)phenyl]-3-methylpyrrolidine-2,5-dione
SMILESCC1(c2cccc(OC(F)F)c2)CC(=O)NC1=O
InChIInChI=1S/C12H11F2NO3/c1-12(6-9(16)15-10(12)17)7-3-2-4-8(5-7)18-11(13)14/h2-5,11H,6H2,1H3,(H,15,16,17)
InChIKeyXHZZNSKSKUHZAZ-UHFFFAOYSA-N
XLogP1.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 51.59
H-Bond Donors ≤ 51
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-[3-(difluoromethoxy)phenyl]-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-[3-(difluoromethoxy)phenyl]-3-methylpyrrolidine-2,5-dione (CID 43332655) is 3-[3-(difluoromethoxy)phenyl]-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[3-(difluoromethoxy)phenyl]-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[3-(difluoromethoxy)phenyl]-3-methylpyrrolidine-2,5-dione is CC1(c2cccc(OC(F)F)c2)CC(=O)NC1=O.
What is the InChIKey of 3-[3-(difluoromethoxy)phenyl]-3-methylpyrrolidine-2,5-dione?
The InChIKey is XHZZNSKSKUHZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO3/c1-12(6-9(16)15-10(12)17)7-3-2-4-8(5-7)18-11(13)14/h2-5,11H,6H2,1H3,(H,15,16,17).
What are the key properties of 3-[3-(difluoromethoxy)phenyl]-3-methylpyrrolidine-2,5-dione?
3-[3-(difluoromethoxy)phenyl]-3-methylpyrrolidine-2,5-dione has a molecular weight of 255.22 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(difluoromethoxy)phenyl]-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 43332655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).