N-(2,2-dimethoxyethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

C12H20F3NO3 — CID 113433974

IUPACN-(2,2-dimethoxyethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCOC(CNC(=O)C1CCCCC1C(F)(F)F)OC
InChIInChI=1S/C12H20F3NO3/c1-18-10(19-2)7-16-11(17)8-5-3-4-6-9(8)12(13,14)15/h8-10H,3-7H2,1-2H3,(H,16,17)
InChIKeyQVBKSLSVYMGDIE-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.09
Rot. Bonds5

About N-(2,2-dimethoxyethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-(2,2-dimethoxyethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 113433974) has the molecular formula C12H20F3NO3 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID113433974
Molecular FormulaC12H20F3NO3
Molecular Weight283.29 g/mol
Exact Mass283.14
IUPAC NameN-(2,2-dimethoxyethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCOC(CNC(=O)C1CCCCC1C(F)(F)F)OC
InChIInChI=1S/C12H20F3NO3/c1-18-10(19-2)7-16-11(17)8-5-3-4-6-9(8)12(13,14)15/h8-10H,3-7H2,1-2H3,(H,16,17)
InChIKeyQVBKSLSVYMGDIE-UHFFFAOYSA-N
XLogP2.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(2,2-dimethoxyethyl)-2-(trifluoromethyl)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 N-(2,2-dimethoxyethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 113433974) is N-(2,2-dimethoxyethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is COC(CNC(=O)C1CCCCC1C(F)(F)F)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is QVBKSLSVYMGDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO3/c1-18-10(19-2)7-16-11(17)8-5-3-4-6-9(8)12(13,14)15/h8-10H,3-7H2,1-2H3,(H,16,17).
What are the key properties of N-(2,2-dimethoxyethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(2,2-dimethoxyethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 283.29 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 113433974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).