1-[4-(difluoromethoxy)cyclohexyl]pyrrole-2,5-dione

C11H13F2NO3 — CID 140609904

IUPAC1-[4-(difluoromethoxy)cyclohexyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1C1CCC(OC(F)F)CC1
InChIInChI=1S/C11H13F2NO3/c12-11(13)17-8-3-1-7(2-4-8)14-9(15)5-6-10(14)16/h5-8,11H,1-4H2
InChIKeyGWIMYLADUANACV-UHFFFAOYSA-N
MW245.22 g/mol
LogP1.46
Rot. Bonds3

About 1-[4-(difluoromethoxy)cyclohexyl]pyrrole-2,5-dione

1-[4-(difluoromethoxy)cyclohexyl]pyrrole-2,5-dione (PubChem CID 140609904) has the molecular formula C11H13F2NO3 and a molecular weight of 245.22 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)cyclohexyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)cyclohexyl]pyrrole-2,5-dione
PubChem CID140609904
Molecular FormulaC11H13F2NO3
Molecular Weight245.22 g/mol
Exact Mass245.09
IUPAC Name1-[4-(difluoromethoxy)cyclohexyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1C1CCC(OC(F)F)CC1
InChIInChI=1S/C11H13F2NO3/c12-11(13)17-8-3-1-7(2-4-8)14-9(15)5-6-10(14)16/h5-8,11H,1-4H2
InChIKeyGWIMYLADUANACV-UHFFFAOYSA-N
XLogP1.46
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 51.46
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 1-[4-(difluoromethoxy)cyclohexyl]pyrrole-2,5-dione?
The IUPAC name of 1-[4-(difluoromethoxy)cyclohexyl]pyrrole-2,5-dione (CID 140609904) is 1-[4-(difluoromethoxy)cyclohexyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-(difluoromethoxy)cyclohexyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[4-(difluoromethoxy)cyclohexyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1C1CCC(OC(F)F)CC1.
What is the InChIKey of 1-[4-(difluoromethoxy)cyclohexyl]pyrrole-2,5-dione?
The InChIKey is GWIMYLADUANACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO3/c12-11(13)17-8-3-1-7(2-4-8)14-9(15)5-6-10(14)16/h5-8,11H,1-4H2.
What are the key properties of 1-[4-(difluoromethoxy)cyclohexyl]pyrrole-2,5-dione?
1-[4-(difluoromethoxy)cyclohexyl]pyrrole-2,5-dione has a molecular weight of 245.22 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)cyclohexyl]pyrrole-2,5-dione is sourced from PubChem (CID 140609904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).