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

C12H22F3NO2 — CID 65115822

IUPAC4-methyl-1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(CNCCOCC(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO2/c1-10-2-4-11(17,5-3-10)8-16-6-7-18-9-12(13,14)15/h10,16-17H,2-9H2,1H3
InChIKeyVFKIFZLPELZVQO-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.10
Rot. Bonds6

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

4-methyl-1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol (PubChem CID 65115822) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is 4-methyl-1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol
PubChem CID65115822
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC Name4-methyl-1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(CNCCOCC(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO2/c1-10-2-4-11(17,5-3-10)8-16-6-7-18-9-12(13,14)15/h10,16-17H,2-9H2,1H3
InChIKeyVFKIFZLPELZVQO-UHFFFAOYSA-N
XLogP2.10
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.10
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-methyl-1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-methyl-1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol (CID 65115822) is 4-methyl-1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-methyl-1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol is CC1CCC(O)(CNCCOCC(F)(F)F)CC1.
What is the InChIKey of 4-methyl-1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol?
The InChIKey is VFKIFZLPELZVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c1-10-2-4-11(17,5-3-10)8-16-6-7-18-9-12(13,14)15/h10,16-17H,2-9H2,1H3.
What are the key properties of 4-methyl-1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol?
4-methyl-1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol has a molecular weight of 269.31 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65115822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).