4-[2-(2,2,2-trifluoroethoxy)ethylamino]oxolan-3-ol

C8H14F3NO3 — CID 63826815

IUPAC4-[2-(2,2,2-trifluoroethoxy)ethylamino]oxolan-3-ol
SMILESOC1COCC1NCCOCC(F)(F)F
InChIInChI=1S/C8H14F3NO3/c9-8(10,11)5-14-2-1-12-6-3-15-4-7(6)13/h6-7,12-13H,1-5H2
InChIKeyIGPHJXPXXLYSEY-UHFFFAOYSA-N
MW229.20 g/mol
LogP-0.09
Rot. Bonds5

About 4-[2-(2,2,2-trifluoroethoxy)ethylamino]oxolan-3-ol

4-[2-(2,2,2-trifluoroethoxy)ethylamino]oxolan-3-ol (PubChem CID 63826815) has the molecular formula C8H14F3NO3 and a molecular weight of 229.20 g/mol. Its IUPAC name is 4-[2-(2,2,2-trifluoroethoxy)ethylamino]oxolan-3-ol.

Molecular Properties

Compound Name4-[2-(2,2,2-trifluoroethoxy)ethylamino]oxolan-3-ol
PubChem CID63826815
Molecular FormulaC8H14F3NO3
Molecular Weight229.20 g/mol
Exact Mass229.09
IUPAC Name4-[2-(2,2,2-trifluoroethoxy)ethylamino]oxolan-3-ol
SMILESOC1COCC1NCCOCC(F)(F)F
InChIInChI=1S/C8H14F3NO3/c9-8(10,11)5-14-2-1-12-6-3-15-4-7(6)13/h6-7,12-13H,1-5H2
InChIKeyIGPHJXPXXLYSEY-UHFFFAOYSA-N
XLogP-0.09
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 5-0.09
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 4-[2-(2,2,2-trifluoroethoxy)ethylamino]oxolan-3-ol?
The IUPAC name of 4-[2-(2,2,2-trifluoroethoxy)ethylamino]oxolan-3-ol (CID 63826815) is 4-[2-(2,2,2-trifluoroethoxy)ethylamino]oxolan-3-ol.
What is the SMILES notation for 4-[2-(2,2,2-trifluoroethoxy)ethylamino]oxolan-3-ol?
The canonical SMILES for 4-[2-(2,2,2-trifluoroethoxy)ethylamino]oxolan-3-ol is OC1COCC1NCCOCC(F)(F)F.
What is the InChIKey of 4-[2-(2,2,2-trifluoroethoxy)ethylamino]oxolan-3-ol?
The InChIKey is IGPHJXPXXLYSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO3/c9-8(10,11)5-14-2-1-12-6-3-15-4-7(6)13/h6-7,12-13H,1-5H2.
What are the key properties of 4-[2-(2,2,2-trifluoroethoxy)ethylamino]oxolan-3-ol?
4-[2-(2,2,2-trifluoroethoxy)ethylamino]oxolan-3-ol has a molecular weight of 229.20 g/mol, XLogP of -0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,2,2-trifluoroethoxy)ethylamino]oxolan-3-ol is sourced from PubChem (CID 63826815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).