5-[4-(trifluoromethyl)cyclohexyl]imidazolidine-2,4-dione

C10H13F3N2O2 — CID 162362321

IUPAC5-[4-(trifluoromethyl)cyclohexyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(C2CCC(C(F)(F)F)CC2)N1
InChIInChI=1S/C10H13F3N2O2/c11-10(12,13)6-3-1-5(2-4-6)7-8(16)15-9(17)14-7/h5-7H,1-4H2,(H2,14,15,16,17)
InChIKeyPRPRBCXRBIFYLB-UHFFFAOYSA-N
MW250.22 g/mol
LogP1.56
Rot. Bonds1

About 5-[4-(trifluoromethyl)cyclohexyl]imidazolidine-2,4-dione

5-[4-(trifluoromethyl)cyclohexyl]imidazolidine-2,4-dione (PubChem CID 162362321) has the molecular formula C10H13F3N2O2 and a molecular weight of 250.22 g/mol. Its IUPAC name is 5-[4-(trifluoromethyl)cyclohexyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[4-(trifluoromethyl)cyclohexyl]imidazolidine-2,4-dione
PubChem CID162362321
Molecular FormulaC10H13F3N2O2
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC Name5-[4-(trifluoromethyl)cyclohexyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(C2CCC(C(F)(F)F)CC2)N1
InChIInChI=1S/C10H13F3N2O2/c11-10(12,13)6-3-1-5(2-4-6)7-8(16)15-9(17)14-7/h5-7H,1-4H2,(H2,14,15,16,17)
InChIKeyPRPRBCXRBIFYLB-UHFFFAOYSA-N
XLogP1.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(trifluoromethyl)cyclohexyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[4-(trifluoromethyl)cyclohexyl]imidazolidine-2,4-dione (CID 162362321) is 5-[4-(trifluoromethyl)cyclohexyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[4-(trifluoromethyl)cyclohexyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[4-(trifluoromethyl)cyclohexyl]imidazolidine-2,4-dione is O=C1NC(=O)C(C2CCC(C(F)(F)F)CC2)N1.
What is the InChIKey of 5-[4-(trifluoromethyl)cyclohexyl]imidazolidine-2,4-dione?
The InChIKey is PRPRBCXRBIFYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2/c11-10(12,13)6-3-1-5(2-4-6)7-8(16)15-9(17)14-7/h5-7H,1-4H2,(H2,14,15,16,17).
What are the key properties of 5-[4-(trifluoromethyl)cyclohexyl]imidazolidine-2,4-dione?
5-[4-(trifluoromethyl)cyclohexyl]imidazolidine-2,4-dione has a molecular weight of 250.22 g/mol, XLogP of 1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethyl)cyclohexyl]imidazolidine-2,4-dione is sourced from PubChem (CID 162362321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).