1-(4-methylcyclohexyl)-3-[2-(trifluoromethoxy)ethyl]urea

C11H19F3N2O2 — CID 176650256

IUPAC1-(4-methylcyclohexyl)-3-[2-(trifluoromethoxy)ethyl]urea
SMILESCC1CCC(NC(=O)NCCOC(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O2/c1-8-2-4-9(5-3-8)16-10(17)15-6-7-18-11(12,13)14/h8-9H,2-7H2,1H3,(H2,15,16,17)
InChIKeyIVEUCDUNKQKGSK-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.40
Rot. Bonds4

About 1-(4-methylcyclohexyl)-3-[2-(trifluoromethoxy)ethyl]urea

1-(4-methylcyclohexyl)-3-[2-(trifluoromethoxy)ethyl]urea (PubChem CID 176650256) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-3-[2-(trifluoromethoxy)ethyl]urea.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-3-[2-(trifluoromethoxy)ethyl]urea
PubChem CID176650256
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name1-(4-methylcyclohexyl)-3-[2-(trifluoromethoxy)ethyl]urea
SMILESCC1CCC(NC(=O)NCCOC(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O2/c1-8-2-4-9(5-3-8)16-10(17)15-6-7-18-11(12,13)14/h8-9H,2-7H2,1H3,(H2,15,16,17)
InChIKeyIVEUCDUNKQKGSK-UHFFFAOYSA-N
XLogP2.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-methylcyclohexyl)-3-[2-(trifluoromethoxy)ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)-3-[2-(trifluoromethoxy)ethyl]urea?
The IUPAC name of 1-(4-methylcyclohexyl)-3-[2-(trifluoromethoxy)ethyl]urea (CID 176650256) is 1-(4-methylcyclohexyl)-3-[2-(trifluoromethoxy)ethyl]urea.
What is the SMILES notation for 1-(4-methylcyclohexyl)-3-[2-(trifluoromethoxy)ethyl]urea?
The canonical SMILES for 1-(4-methylcyclohexyl)-3-[2-(trifluoromethoxy)ethyl]urea is CC1CCC(NC(=O)NCCOC(F)(F)F)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)-3-[2-(trifluoromethoxy)ethyl]urea?
The InChIKey is IVEUCDUNKQKGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-8-2-4-9(5-3-8)16-10(17)15-6-7-18-11(12,13)14/h8-9H,2-7H2,1H3,(H2,15,16,17).
What are the key properties of 1-(4-methylcyclohexyl)-3-[2-(trifluoromethoxy)ethyl]urea?
1-(4-methylcyclohexyl)-3-[2-(trifluoromethoxy)ethyl]urea has a molecular weight of 268.28 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-3-[2-(trifluoromethoxy)ethyl]urea is sourced from PubChem (CID 176650256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).