1-(2-chloro-4,6-difluorophenyl)-3-methylpyrrole-2,5-dione

C11H6ClF2NO2 — CID 83088389

IUPAC1-(2-chloro-4,6-difluorophenyl)-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(c2c(F)cc(F)cc2Cl)C1=O
InChIInChI=1S/C11H6ClF2NO2/c1-5-2-9(16)15(11(5)17)10-7(12)3-6(13)4-8(10)14/h2-4H,1H3
InChIKeyLUGHEDJHBBPWIB-UHFFFAOYSA-N
MW257.62 g/mol
LogP2.44
Rot. Bonds1

About 1-(2-chloro-4,6-difluorophenyl)-3-methylpyrrole-2,5-dione

1-(2-chloro-4,6-difluorophenyl)-3-methylpyrrole-2,5-dione (PubChem CID 83088389) has the molecular formula C11H6ClF2NO2 and a molecular weight of 257.62 g/mol. Its IUPAC name is 1-(2-chloro-4,6-difluorophenyl)-3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-chloro-4,6-difluorophenyl)-3-methylpyrrole-2,5-dione
PubChem CID83088389
Molecular FormulaC11H6ClF2NO2
Molecular Weight257.62 g/mol
Exact Mass257.01
IUPAC Name1-(2-chloro-4,6-difluorophenyl)-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(c2c(F)cc(F)cc2Cl)C1=O
InChIInChI=1S/C11H6ClF2NO2/c1-5-2-9(16)15(11(5)17)10-7(12)3-6(13)4-8(10)14/h2-4H,1H3
InChIKeyLUGHEDJHBBPWIB-UHFFFAOYSA-N
XLogP2.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.62
LogP ≤ 52.44
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 1-(2-chloro-4,6-difluorophenyl)-3-methylpyrrole-2,5-dione?
The IUPAC name of 1-(2-chloro-4,6-difluorophenyl)-3-methylpyrrole-2,5-dione (CID 83088389) is 1-(2-chloro-4,6-difluorophenyl)-3-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-(2-chloro-4,6-difluorophenyl)-3-methylpyrrole-2,5-dione?
The canonical SMILES for 1-(2-chloro-4,6-difluorophenyl)-3-methylpyrrole-2,5-dione is CC1=CC(=O)N(c2c(F)cc(F)cc2Cl)C1=O.
What is the InChIKey of 1-(2-chloro-4,6-difluorophenyl)-3-methylpyrrole-2,5-dione?
The InChIKey is LUGHEDJHBBPWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF2NO2/c1-5-2-9(16)15(11(5)17)10-7(12)3-6(13)4-8(10)14/h2-4H,1H3.
What are the key properties of 1-(2-chloro-4,6-difluorophenyl)-3-methylpyrrole-2,5-dione?
1-(2-chloro-4,6-difluorophenyl)-3-methylpyrrole-2,5-dione has a molecular weight of 257.62 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,6-difluorophenyl)-3-methylpyrrole-2,5-dione is sourced from PubChem (CID 83088389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).