5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione

C11H10F2N2O3 — CID 3755386

IUPAC5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc(OC(F)F)cc2)NC(=O)NC1=O
InChIInChI=1S/C11H10F2N2O3/c1-11(8(16)14-10(17)15-11)6-2-4-7(5-3-6)18-9(12)13/h2-5,9H,1H3,(H2,14,15,16,17)
InChIKeyAVNWWORDKUNNTP-UHFFFAOYSA-N
MW256.21 g/mol
LogP1.34
Rot. Bonds3

About 5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione

5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione (PubChem CID 3755386) has the molecular formula C11H10F2N2O3 and a molecular weight of 256.21 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione
PubChem CID3755386
Molecular FormulaC11H10F2N2O3
Molecular Weight256.21 g/mol
Exact Mass256.07
IUPAC Name5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc(OC(F)F)cc2)NC(=O)NC1=O
InChIInChI=1S/C11H10F2N2O3/c1-11(8(16)14-10(17)15-11)6-2-4-7(5-3-6)18-9(12)13/h2-5,9H,1H3,(H2,14,15,16,17)
InChIKeyAVNWWORDKUNNTP-UHFFFAOYSA-N
XLogP1.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.21
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione (CID 3755386) is 5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione is CC1(c2ccc(OC(F)F)cc2)NC(=O)NC1=O.
What is the InChIKey of 5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is AVNWWORDKUNNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O3/c1-11(8(16)14-10(17)15-11)6-2-4-7(5-3-6)18-9(12)13/h2-5,9H,1H3,(H2,14,15,16,17).
What are the key properties of 5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione?
5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 256.21 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 3755386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).