N-(2-chloroethyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide

C11H17ClF3NO — CID 104622715

IUPACN-(2-chloroethyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCN(CCCl)C(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C11H17ClF3NO/c1-16(7-6-12)10(17)8-4-2-3-5-9(8)11(13,14)15/h8-9H,2-7H2,1H3
InChIKeyNJBYBXQQMDHJGI-UHFFFAOYSA-N
MW271.71 g/mol
LogP3.05
Rot. Bonds3

About N-(2-chloroethyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-(2-chloroethyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 104622715) has the molecular formula C11H17ClF3NO and a molecular weight of 271.71 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID104622715
Molecular FormulaC11H17ClF3NO
Molecular Weight271.71 g/mol
Exact Mass271.10
IUPAC NameN-(2-chloroethyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCN(CCCl)C(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C11H17ClF3NO/c1-16(7-6-12)10(17)8-4-2-3-5-9(8)11(13,14)15/h8-9H,2-7H2,1H3
InChIKeyNJBYBXQQMDHJGI-UHFFFAOYSA-N
XLogP3.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-chloroethyl)-N-methyl-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-chloroethyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(2-chloroethyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 104622715) is N-(2-chloroethyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide is CN(CCCl)C(=O)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-(2-chloroethyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is NJBYBXQQMDHJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClF3NO/c1-16(7-6-12)10(17)8-4-2-3-5-9(8)11(13,14)15/h8-9H,2-7H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(2-chloroethyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 271.71 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 104622715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).