2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol

C11H20F3NO2 — CID 64911191

IUPAC2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNCCOCC(F)(F)F
InChIInChI=1S/C11H20F3NO2/c12-11(13,14)8-17-6-5-15-7-9-3-1-2-4-10(9)16/h9-10,15-16H,1-8H2
InChIKeyUXPHBBLOBDVXLZ-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.71
Rot. Bonds6

About 2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol

2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol (PubChem CID 64911191) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol
PubChem CID64911191
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNCCOCC(F)(F)F
InChIInChI=1S/C11H20F3NO2/c12-11(13,14)8-17-6-5-15-7-9-3-1-2-4-10(9)16/h9-10,15-16H,1-8H2
InChIKeyUXPHBBLOBDVXLZ-UHFFFAOYSA-N
XLogP1.71
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol (CID 64911191) is 2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol is OC1CCCCC1CNCCOCC(F)(F)F.
What is the InChIKey of 2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol?
The InChIKey is UXPHBBLOBDVXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c12-11(13,14)8-17-6-5-15-7-9-3-1-2-4-10(9)16/h9-10,15-16H,1-8H2.
What are the key properties of 2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol?
2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol has a molecular weight of 255.28 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 64911191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).