2-chloro-N-methyl-N-[2-(trifluoromethoxy)ethyl]cyclohexan-1-amine

C10H17ClF3NO — CID 102637562

IUPAC2-chloro-N-methyl-N-[2-(trifluoromethoxy)ethyl]cyclohexan-1-amine
SMILESCN(CCOC(F)(F)F)C1CCCCC1Cl
InChIInChI=1S/C10H17ClF3NO/c1-15(6-7-16-10(12,13)14)9-5-3-2-4-8(9)11/h8-9H,2-7H2,1H3
InChIKeySRUYMDINJYZDHQ-UHFFFAOYSA-N
MW259.70 g/mol
LogP3.00
Rot. Bonds4

About 2-chloro-N-methyl-N-[2-(trifluoromethoxy)ethyl]cyclohexan-1-amine

2-chloro-N-methyl-N-[2-(trifluoromethoxy)ethyl]cyclohexan-1-amine (PubChem CID 102637562) has the molecular formula C10H17ClF3NO and a molecular weight of 259.70 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-[2-(trifluoromethoxy)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-chloro-N-methyl-N-[2-(trifluoromethoxy)ethyl]cyclohexan-1-amine
PubChem CID102637562
Molecular FormulaC10H17ClF3NO
Molecular Weight259.70 g/mol
Exact Mass259.10
IUPAC Name2-chloro-N-methyl-N-[2-(trifluoromethoxy)ethyl]cyclohexan-1-amine
SMILESCN(CCOC(F)(F)F)C1CCCCC1Cl
InChIInChI=1S/C10H17ClF3NO/c1-15(6-7-16-10(12,13)14)9-5-3-2-4-8(9)11/h8-9H,2-7H2,1H3
InChIKeySRUYMDINJYZDHQ-UHFFFAOYSA-N
XLogP3.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N-methyl-N-[2-(trifluoromethoxy)ethyl]cyclohexan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-chloroethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexanamine
CID 55183478
2-(Chloromethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
CID 63386563
2-(2-Chloroethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
CID 63387210
2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 65025668
2-(Chloromethyl)-1-[2-(trifluoromethoxy)ethyl]piperidine
CID 65802900
2-(2-Chloroethyl)-1-[2-(trifluoromethoxy)ethyl]piperidine
CID 65803109
2-chloro-N-[2-(trifluoromethoxy)ethyl]cyclohexan-1-amine
CID 65804838
N-(2-chloroethyl)-N-[2-(trifluoromethoxy)ethyl]cyclohexanamine
CID 65806137
2-chloro-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 102637556
5-chloro-N-methyl-N-[2-(trifluoromethoxy)ethyl]pentan-1-amine
CID 107205058
2-chloro-N-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 113719101
2-(Chloromethyl)-1-[2-(trifluoromethoxy)ethyl]azepane
CID 116638682

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-[2-(trifluoromethoxy)ethyl]cyclohexan-1-amine?
The IUPAC name of 2-chloro-N-methyl-N-[2-(trifluoromethoxy)ethyl]cyclohexan-1-amine (CID 102637562) is 2-chloro-N-methyl-N-[2-(trifluoromethoxy)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2-chloro-N-methyl-N-[2-(trifluoromethoxy)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2-chloro-N-methyl-N-[2-(trifluoromethoxy)ethyl]cyclohexan-1-amine is CN(CCOC(F)(F)F)C1CCCCC1Cl.
What is the InChIKey of 2-chloro-N-methyl-N-[2-(trifluoromethoxy)ethyl]cyclohexan-1-amine?
The InChIKey is SRUYMDINJYZDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClF3NO/c1-15(6-7-16-10(12,13)14)9-5-3-2-4-8(9)11/h8-9H,2-7H2,1H3.
What are the key properties of 2-chloro-N-methyl-N-[2-(trifluoromethoxy)ethyl]cyclohexan-1-amine?
2-chloro-N-methyl-N-[2-(trifluoromethoxy)ethyl]cyclohexan-1-amine has a molecular weight of 259.70 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-[2-(trifluoromethoxy)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 102637562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).