1-cyclohexyloxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol

C13H24F3NO3 — CID 60729374

IUPAC1-cyclohexyloxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol
SMILESOC(CNCCOCC(F)(F)F)COC1CCCCC1
InChIInChI=1S/C13H24F3NO3/c14-13(15,16)10-19-7-6-17-8-11(18)9-20-12-4-2-1-3-5-12/h11-12,17-18H,1-10H2
InChIKeyHZPMTNNTEGDMDM-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.87
Rot. Bonds9

About 1-cyclohexyloxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol

1-cyclohexyloxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol (PubChem CID 60729374) has the molecular formula C13H24F3NO3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 1-cyclohexyloxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-cyclohexyloxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol
PubChem CID60729374
Molecular FormulaC13H24F3NO3
Molecular Weight299.33 g/mol
Exact Mass299.17
IUPAC Name1-cyclohexyloxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol
SMILESOC(CNCCOCC(F)(F)F)COC1CCCCC1
InChIInChI=1S/C13H24F3NO3/c14-13(15,16)10-19-7-6-17-8-11(18)9-20-12-4-2-1-3-5-12/h11-12,17-18H,1-10H2
InChIKeyHZPMTNNTEGDMDM-UHFFFAOYSA-N
XLogP1.87
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-cyclohexyloxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol?
The IUPAC name of 1-cyclohexyloxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol (CID 60729374) is 1-cyclohexyloxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol.
What is the SMILES notation for 1-cyclohexyloxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol?
The canonical SMILES for 1-cyclohexyloxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol is OC(CNCCOCC(F)(F)F)COC1CCCCC1.
What is the InChIKey of 1-cyclohexyloxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol?
The InChIKey is HZPMTNNTEGDMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO3/c14-13(15,16)10-19-7-6-17-8-11(18)9-20-12-4-2-1-3-5-12/h11-12,17-18H,1-10H2.
What are the key properties of 1-cyclohexyloxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol?
1-cyclohexyloxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol has a molecular weight of 299.33 g/mol, XLogP of 1.87, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol is sourced from PubChem (CID 60729374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).