1-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]cyclohexan-1-amine

C11H20F3NO2 — CID 64574640

IUPAC1-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]cyclohexan-1-amine
SMILESNC1(COCCOCC(F)(F)F)CCCCC1
InChIInChI=1S/C11H20F3NO2/c12-11(13,14)9-17-7-6-16-8-10(15)4-2-1-3-5-10/h1-9,15H2
InChIKeyIPQSVAARMSMWJS-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.24
Rot. Bonds6

About 1-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]cyclohexan-1-amine

1-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]cyclohexan-1-amine (PubChem CID 64574640) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]cyclohexan-1-amine
PubChem CID64574640
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name1-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]cyclohexan-1-amine
SMILESNC1(COCCOCC(F)(F)F)CCCCC1
InChIInChI=1S/C11H20F3NO2/c12-11(13,14)9-17-7-6-16-8-10(15)4-2-1-3-5-10/h1-9,15H2
InChIKeyIPQSVAARMSMWJS-UHFFFAOYSA-N
XLogP2.24
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]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

1-[2-(2,2,2-Trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 62620489
1-[3-(2,2,2-Trifluoroethoxy)propyl]cyclohexan-1-amine
CID 62620669
1-[2-(2,2,2-Trifluoroethoxy)ethoxymethyl]cycloheptan-1-amine
CID 64551705
1-(3,3,3-Trifluoropropoxymethyl)cyclohexan-1-amine
CID 64565499
1-(2,2,2-Trifluoroethoxymethyl)cyclohexan-1-amine
CID 64571858
1-[2-(2,2,2-Trifluoroethoxy)ethoxymethyl]cyclopentan-1-amine
CID 64572036
1-[3-(2,2,2-Trifluoroethoxy)propoxymethyl]cyclohexan-1-amine
CID 64572073
1-(2,2-Difluoroethoxymethyl)cyclohexan-1-amine
CID 64574422
1-[2-(Trifluoromethoxy)ethoxymethyl]cyclopentan-1-amine
CID 65804570
1-[2-(Trifluoromethoxy)ethoxymethyl]cyclohexan-1-amine
CID 65804571
1-[2-(Trifluoromethoxy)ethoxymethyl]cycloheptan-1-amine
CID 65804797
1-(2-Fluoroethoxymethyl)cyclohexan-1-amine
CID 80694781

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]cyclohexan-1-amine?
The IUPAC name of 1-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]cyclohexan-1-amine (CID 64574640) is 1-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]cyclohexan-1-amine?
The canonical SMILES for 1-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]cyclohexan-1-amine is NC1(COCCOCC(F)(F)F)CCCCC1.
What is the InChIKey of 1-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]cyclohexan-1-amine?
The InChIKey is IPQSVAARMSMWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c12-11(13,14)9-17-7-6-16-8-10(15)4-2-1-3-5-10/h1-9,15H2.
What are the key properties of 1-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]cyclohexan-1-amine?
1-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]cyclohexan-1-amine has a molecular weight of 255.28 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]cyclohexan-1-amine is sourced from PubChem (CID 64574640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).