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

C10H18F3NO3 — CID 81130959

IUPAC4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]oxan-4-ol
SMILESOC1(CNCCOCC(F)(F)F)CCOCC1
InChIInChI=1S/C10H18F3NO3/c11-10(12,13)8-17-6-3-14-7-9(15)1-4-16-5-2-9/h14-15H,1-8H2
InChIKeyDYLVCLIRINXKKN-UHFFFAOYSA-N
MW257.25 g/mol
LogP0.70
Rot. Bonds6

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

4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]oxan-4-ol (PubChem CID 81130959) has the molecular formula C10H18F3NO3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]oxan-4-ol
PubChem CID81130959
Molecular FormulaC10H18F3NO3
Molecular Weight257.25 g/mol
Exact Mass257.12
IUPAC Name4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]oxan-4-ol
SMILESOC1(CNCCOCC(F)(F)F)CCOCC1
InChIInChI=1S/C10H18F3NO3/c11-10(12,13)8-17-6-3-14-7-9(15)1-4-16-5-2-9/h14-15H,1-8H2
InChIKeyDYLVCLIRINXKKN-UHFFFAOYSA-N
XLogP0.70
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 50.70
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]methyl]oxan-4-ol?
The IUPAC name of 4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]oxan-4-ol (CID 81130959) is 4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]oxan-4-ol is OC1(CNCCOCC(F)(F)F)CCOCC1.
What is the InChIKey of 4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]oxan-4-ol?
The InChIKey is DYLVCLIRINXKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3/c11-10(12,13)8-17-6-3-14-7-9(15)1-4-16-5-2-9/h14-15H,1-8H2.
What are the key properties of 4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]oxan-4-ol?
4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]oxan-4-ol has a molecular weight of 257.25 g/mol, XLogP of 0.70, 6 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]methyl]oxan-4-ol is sourced from PubChem (CID 81130959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).