4,4-dimethyl-1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol

C13H24F3NO2 — CID 65120559

IUPAC4,4-dimethyl-1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol
SMILESCC1(C)CCC(O)(CNCCOCC(F)(F)F)CC1
InChIInChI=1S/C13H24F3NO2/c1-11(2)3-5-12(18,6-4-11)9-17-7-8-19-10-13(14,15)16/h17-18H,3-10H2,1-2H3
InChIKeyQSXKAJGATAGTDC-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.49
Rot. Bonds6

About 4,4-dimethyl-1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol

4,4-dimethyl-1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol (PubChem CID 65120559) has the molecular formula C13H24F3NO2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4,4-dimethyl-1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol
PubChem CID65120559
Molecular FormulaC13H24F3NO2
Molecular Weight283.33 g/mol
Exact Mass283.18
IUPAC Name4,4-dimethyl-1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol
SMILESCC1(C)CCC(O)(CNCCOCC(F)(F)F)CC1
InChIInChI=1S/C13H24F3NO2/c1-11(2)3-5-12(18,6-4-11)9-17-7-8-19-10-13(14,15)16/h17-18H,3-10H2,1-2H3
InChIKeyQSXKAJGATAGTDC-UHFFFAOYSA-N
XLogP2.49
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.49
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 4,4-dimethyl-1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 4,4-dimethyl-1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol (CID 65120559) is 4,4-dimethyl-1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4,4-dimethyl-1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4,4-dimethyl-1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol is CC1(C)CCC(O)(CNCCOCC(F)(F)F)CC1.
What is the InChIKey of 4,4-dimethyl-1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol?
The InChIKey is QSXKAJGATAGTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO2/c1-11(2)3-5-12(18,6-4-11)9-17-7-8-19-10-13(14,15)16/h17-18H,3-10H2,1-2H3.
What are the key properties of 4,4-dimethyl-1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol?
4,4-dimethyl-1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol has a molecular weight of 283.33 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65120559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).