2-(aminomethyl)-6,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-ol

C13H24F3NO2 — CID 79855153

IUPAC2-(aminomethyl)-6,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-ol
SMILESCC1(C)CCCC(CN)(CCOCC(F)(F)F)C1O
InChIInChI=1S/C13H24F3NO2/c1-11(2)4-3-5-12(8-17,10(11)18)6-7-19-9-13(14,15)16/h10,18H,3-9,17H2,1-2H3
InChIKeyJGCHZVQITDDPJW-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.47
Rot. Bonds5

About 2-(aminomethyl)-6,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-ol

2-(aminomethyl)-6,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-ol (PubChem CID 79855153) has the molecular formula C13H24F3NO2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(aminomethyl)-6,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-6,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-ol
PubChem CID79855153
Molecular FormulaC13H24F3NO2
Molecular Weight283.33 g/mol
Exact Mass283.18
IUPAC Name2-(aminomethyl)-6,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-ol
SMILESCC1(C)CCCC(CN)(CCOCC(F)(F)F)C1O
InChIInChI=1S/C13H24F3NO2/c1-11(2)4-3-5-12(8-17,10(11)18)6-7-19-9-13(14,15)16/h10,18H,3-9,17H2,1-2H3
InChIKeyJGCHZVQITDDPJW-UHFFFAOYSA-N
XLogP2.47
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.47
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-(aminomethyl)-6,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-ol?
The IUPAC name of 2-(aminomethyl)-6,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-ol (CID 79855153) is 2-(aminomethyl)-6,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-6,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-ol?
The canonical SMILES for 2-(aminomethyl)-6,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-ol is CC1(C)CCCC(CN)(CCOCC(F)(F)F)C1O.
What is the InChIKey of 2-(aminomethyl)-6,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-ol?
The InChIKey is JGCHZVQITDDPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO2/c1-11(2)4-3-5-12(8-17,10(11)18)6-7-19-9-13(14,15)16/h10,18H,3-9,17H2,1-2H3.
What are the key properties of 2-(aminomethyl)-6,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-ol?
2-(aminomethyl)-6,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-ol has a molecular weight of 283.33 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-ol is sourced from PubChem (CID 79855153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).