3,5,5-trimethyl-N-(2,2,2-trifluoroethyl)cyclohex-2-en-1-imine

C11H16F3N — CID 70518262

IUPAC3,5,5-trimethyl-N-(2,2,2-trifluoroethyl)cyclohex-2-en-1-imine
SMILESCC1=C/C(=N\CC(F)(F)F)CC(C)(C)C1
InChIInChI=1S/C11H16F3N/c1-8-4-9(6-10(2,3)5-8)15-7-11(12,13)14/h4H,5-7H2,1-3H3/b15-9+
InChIKeyBIUVDBSSMNUQIF-OQLLNIDSSA-N
MW219.25 g/mol
LogP3.76
Rot. Bonds1

About 3,5,5-trimethyl-N-(2,2,2-trifluoroethyl)cyclohex-2-en-1-imine

3,5,5-trimethyl-N-(2,2,2-trifluoroethyl)cyclohex-2-en-1-imine (PubChem CID 70518262) has the molecular formula C11H16F3N and a molecular weight of 219.25 g/mol. Its IUPAC name is 3,5,5-trimethyl-N-(2,2,2-trifluoroethyl)cyclohex-2-en-1-imine.

Molecular Properties

Compound Name3,5,5-trimethyl-N-(2,2,2-trifluoroethyl)cyclohex-2-en-1-imine
PubChem CID70518262
Molecular FormulaC11H16F3N
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC Name3,5,5-trimethyl-N-(2,2,2-trifluoroethyl)cyclohex-2-en-1-imine
SMILESCC1=C/C(=N\CC(F)(F)F)CC(C)(C)C1
InChIInChI=1S/C11H16F3N/c1-8-4-9(6-10(2,3)5-8)15-7-11(12,13)14/h4H,5-7H2,1-3H3/b15-9+
InChIKeyBIUVDBSSMNUQIF-OQLLNIDSSA-N
XLogP3.76
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3,5,5-trimethyl-N-(2,2,2-trifluoroethyl)cyclohex-2-en-1-imine 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 3,5,5-trimethyl-N-(2,2,2-trifluoroethyl)cyclohex-2-en-1-imine?
The IUPAC name of 3,5,5-trimethyl-N-(2,2,2-trifluoroethyl)cyclohex-2-en-1-imine (CID 70518262) is 3,5,5-trimethyl-N-(2,2,2-trifluoroethyl)cyclohex-2-en-1-imine.
What is the SMILES notation for 3,5,5-trimethyl-N-(2,2,2-trifluoroethyl)cyclohex-2-en-1-imine?
The canonical SMILES for 3,5,5-trimethyl-N-(2,2,2-trifluoroethyl)cyclohex-2-en-1-imine is CC1=C/C(=N\CC(F)(F)F)CC(C)(C)C1.
What is the InChIKey of 3,5,5-trimethyl-N-(2,2,2-trifluoroethyl)cyclohex-2-en-1-imine?
The InChIKey is BIUVDBSSMNUQIF-OQLLNIDSSA-N. The full InChI is InChI=1S/C11H16F3N/c1-8-4-9(6-10(2,3)5-8)15-7-11(12,13)14/h4H,5-7H2,1-3H3/b15-9+.
What are the key properties of 3,5,5-trimethyl-N-(2,2,2-trifluoroethyl)cyclohex-2-en-1-imine?
3,5,5-trimethyl-N-(2,2,2-trifluoroethyl)cyclohex-2-en-1-imine has a molecular weight of 219.25 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethyl-N-(2,2,2-trifluoroethyl)cyclohex-2-en-1-imine is sourced from PubChem (CID 70518262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).