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

C11H19ClF3NO — CID 102637556

IUPAC2-chloro-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
SMILESCN(CCOCC(F)(F)F)C1CCCCC1Cl
InChIInChI=1S/C11H19ClF3NO/c1-16(6-7-17-8-11(13,14)15)10-5-3-2-4-9(10)12/h9-10H,2-8H2,1H3
InChIKeyUZMKGMJAHPVQQI-UHFFFAOYSA-N
MW273.73 g/mol
LogP3.05
Rot. Bonds5

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

2-chloro-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine (PubChem CID 102637556) has the molecular formula C11H19ClF3NO and a molecular weight of 273.73 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-chloro-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
PubChem CID102637556
Molecular FormulaC11H19ClF3NO
Molecular Weight273.73 g/mol
Exact Mass273.11
IUPAC Name2-chloro-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
SMILESCN(CCOCC(F)(F)F)C1CCCCC1Cl
InChIInChI=1S/C11H19ClF3NO/c1-16(6-7-17-8-11(13,14)15)10-5-3-2-4-9(10)12/h9-10H,2-8H2,1H3
InChIKeyUZMKGMJAHPVQQI-UHFFFAOYSA-N
XLogP3.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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
N-(2-chloroethyl)-N-[2-(trifluoromethoxy)ethyl]cyclohexanamine
CID 65806137
2-chloro-N-methyl-N-[2-(trifluoromethoxy)ethyl]cyclohexan-1-amine
CID 102637562
5-chloro-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
CID 107204997
2-chloro-N-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 113719101
2-(Chloromethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]azepane
CID 116638676
N-(2-Chloroethyl)-N-(2-ethoxyethyl)cyclohexanamine
CID 20281062

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine?
The IUPAC name of 2-chloro-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine (CID 102637556) is 2-chloro-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2-chloro-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2-chloro-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine is CN(CCOCC(F)(F)F)C1CCCCC1Cl.
What is the InChIKey of 2-chloro-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine?
The InChIKey is UZMKGMJAHPVQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClF3NO/c1-16(6-7-17-8-11(13,14)15)10-5-3-2-4-9(10)12/h9-10H,2-8H2,1H3.
What are the key properties of 2-chloro-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine?
2-chloro-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine has a molecular weight of 273.73 g/mol, XLogP of 3.05, 5 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-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 102637556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).