[1-(2-methoxyethylamino)-4-(trifluoromethyl)cyclohexyl]methanol

C11H20F3NO2 — CID 64754706

IUPAC[1-(2-methoxyethylamino)-4-(trifluoromethyl)cyclohexyl]methanol
SMILESCOCCNC1(CO)CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO2/c1-17-7-6-15-10(8-16)4-2-9(3-5-10)11(12,13)14/h9,15-16H,2-8H2,1H3
InChIKeyQGHNOMZHZGDACM-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.71
Rot. Bonds5

About [1-(2-methoxyethylamino)-4-(trifluoromethyl)cyclohexyl]methanol

[1-(2-methoxyethylamino)-4-(trifluoromethyl)cyclohexyl]methanol (PubChem CID 64754706) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is [1-(2-methoxyethylamino)-4-(trifluoromethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(2-methoxyethylamino)-4-(trifluoromethyl)cyclohexyl]methanol
PubChem CID64754706
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name[1-(2-methoxyethylamino)-4-(trifluoromethyl)cyclohexyl]methanol
SMILESCOCCNC1(CO)CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO2/c1-17-7-6-15-10(8-16)4-2-9(3-5-10)11(12,13)14/h9,15-16H,2-8H2,1H3
InChIKeyQGHNOMZHZGDACM-UHFFFAOYSA-N
XLogP1.71
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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 [1-(2-methoxyethylamino)-4-(trifluoromethyl)cyclohexyl]methanol?
The IUPAC name of [1-(2-methoxyethylamino)-4-(trifluoromethyl)cyclohexyl]methanol (CID 64754706) is [1-(2-methoxyethylamino)-4-(trifluoromethyl)cyclohexyl]methanol.
What is the SMILES notation for [1-(2-methoxyethylamino)-4-(trifluoromethyl)cyclohexyl]methanol?
The canonical SMILES for [1-(2-methoxyethylamino)-4-(trifluoromethyl)cyclohexyl]methanol is COCCNC1(CO)CCC(C(F)(F)F)CC1.
What is the InChIKey of [1-(2-methoxyethylamino)-4-(trifluoromethyl)cyclohexyl]methanol?
The InChIKey is QGHNOMZHZGDACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-17-7-6-15-10(8-16)4-2-9(3-5-10)11(12,13)14/h9,15-16H,2-8H2,1H3.
What are the key properties of [1-(2-methoxyethylamino)-4-(trifluoromethyl)cyclohexyl]methanol?
[1-(2-methoxyethylamino)-4-(trifluoromethyl)cyclohexyl]methanol has a molecular weight of 255.28 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyethylamino)-4-(trifluoromethyl)cyclohexyl]methanol is sourced from PubChem (CID 64754706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).