3-cyclohexyl-5-methoxy-5-(trifluoromethyl)imidazolidine-2,4-dione

C11H15F3N2O3 — CID 2962154

IUPAC3-cyclohexyl-5-methoxy-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESCOC1(C(F)(F)F)NC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C11H15F3N2O3/c1-19-10(11(12,13)14)8(17)16(9(18)15-10)7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,15,18)
InChIKeyJFDGVZJOFWPTCI-UHFFFAOYSA-N
MW280.25 g/mol
LogP1.78
Rot. Bonds2

About 3-cyclohexyl-5-methoxy-5-(trifluoromethyl)imidazolidine-2,4-dione

3-cyclohexyl-5-methoxy-5-(trifluoromethyl)imidazolidine-2,4-dione (PubChem CID 2962154) has the molecular formula C11H15F3N2O3 and a molecular weight of 280.25 g/mol. Its IUPAC name is 3-cyclohexyl-5-methoxy-5-(trifluoromethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-cyclohexyl-5-methoxy-5-(trifluoromethyl)imidazolidine-2,4-dione
PubChem CID2962154
Molecular FormulaC11H15F3N2O3
Molecular Weight280.25 g/mol
Exact Mass280.10
IUPAC Name3-cyclohexyl-5-methoxy-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESCOC1(C(F)(F)F)NC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C11H15F3N2O3/c1-19-10(11(12,13)14)8(17)16(9(18)15-10)7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,15,18)
InChIKeyJFDGVZJOFWPTCI-UHFFFAOYSA-N
XLogP1.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 51.78
H-Bond Donors ≤ 51
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 3-cyclohexyl-5-methoxy-5-(trifluoromethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-cyclohexyl-5-methoxy-5-(trifluoromethyl)imidazolidine-2,4-dione (CID 2962154) is 3-cyclohexyl-5-methoxy-5-(trifluoromethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-cyclohexyl-5-methoxy-5-(trifluoromethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-cyclohexyl-5-methoxy-5-(trifluoromethyl)imidazolidine-2,4-dione is COC1(C(F)(F)F)NC(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of 3-cyclohexyl-5-methoxy-5-(trifluoromethyl)imidazolidine-2,4-dione?
The InChIKey is JFDGVZJOFWPTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O3/c1-19-10(11(12,13)14)8(17)16(9(18)15-10)7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,15,18).
What are the key properties of 3-cyclohexyl-5-methoxy-5-(trifluoromethyl)imidazolidine-2,4-dione?
3-cyclohexyl-5-methoxy-5-(trifluoromethyl)imidazolidine-2,4-dione has a molecular weight of 280.25 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-methoxy-5-(trifluoromethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 2962154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).