2,5-dimethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide

C11H19F3N2O — CID 64754123

IUPAC2,5-dimethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide
SMILESCC1CCC(C)C(NCC(F)(F)F)(C(N)=O)C1
InChIInChI=1S/C11H19F3N2O/c1-7-3-4-8(2)10(5-7,9(15)17)16-6-11(12,13)14/h7-8,16H,3-6H2,1-2H3,(H2,15,17)
InChIKeyHCEOCGAQURWTDR-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.82
Rot. Bonds3

About 2,5-dimethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide

2,5-dimethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide (PubChem CID 64754123) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2,5-dimethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide
PubChem CID64754123
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name2,5-dimethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide
SMILESCC1CCC(C)C(NCC(F)(F)F)(C(N)=O)C1
InChIInChI=1S/C11H19F3N2O/c1-7-3-4-8(2)10(5-7,9(15)17)16-6-11(12,13)14/h7-8,16H,3-6H2,1-2H3,(H2,15,17)
InChIKeyHCEOCGAQURWTDR-UHFFFAOYSA-N
XLogP1.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,5-dimethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide 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 2,5-dimethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide?
The IUPAC name of 2,5-dimethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide (CID 64754123) is 2,5-dimethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 2,5-dimethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 2,5-dimethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide is CC1CCC(C)C(NCC(F)(F)F)(C(N)=O)C1.
What is the InChIKey of 2,5-dimethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide?
The InChIKey is HCEOCGAQURWTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-7-3-4-8(2)10(5-7,9(15)17)16-6-11(12,13)14/h7-8,16H,3-6H2,1-2H3,(H2,15,17).
What are the key properties of 2,5-dimethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide?
2,5-dimethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide has a molecular weight of 252.28 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 64754123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).