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

C10H18F3NO3 — CID 106100897

IUPAC2-methyl-3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]oxolan-3-ol
SMILESCC1OCCC1(O)CNCCOCC(F)(F)F
InChIInChI=1S/C10H18F3NO3/c1-8-9(15,2-4-17-8)6-14-3-5-16-7-10(11,12)13/h8,14-15H,2-7H2,1H3
InChIKeyIXTKHEPXYQXDET-UHFFFAOYSA-N
MW257.25 g/mol
LogP0.69
Rot. Bonds6

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

2-methyl-3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]oxolan-3-ol (PubChem CID 106100897) has the molecular formula C10H18F3NO3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-methyl-3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name2-methyl-3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]oxolan-3-ol
PubChem CID106100897
Molecular FormulaC10H18F3NO3
Molecular Weight257.25 g/mol
Exact Mass257.12
IUPAC Name2-methyl-3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]oxolan-3-ol
SMILESCC1OCCC1(O)CNCCOCC(F)(F)F
InChIInChI=1S/C10H18F3NO3/c1-8-9(15,2-4-17-8)6-14-3-5-16-7-10(11,12)13/h8,14-15H,2-7H2,1H3
InChIKeyIXTKHEPXYQXDET-UHFFFAOYSA-N
XLogP0.69
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 ≤ 50.69
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 2-methyl-3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]oxolan-3-ol?
The IUPAC name of 2-methyl-3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]oxolan-3-ol (CID 106100897) is 2-methyl-3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]oxolan-3-ol.
What is the SMILES notation for 2-methyl-3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]oxolan-3-ol?
The canonical SMILES for 2-methyl-3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]oxolan-3-ol is CC1OCCC1(O)CNCCOCC(F)(F)F.
What is the InChIKey of 2-methyl-3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]oxolan-3-ol?
The InChIKey is IXTKHEPXYQXDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3/c1-8-9(15,2-4-17-8)6-14-3-5-16-7-10(11,12)13/h8,14-15H,2-7H2,1H3.
What are the key properties of 2-methyl-3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]oxolan-3-ol?
2-methyl-3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]oxolan-3-ol has a molecular weight of 257.25 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]oxolan-3-ol is sourced from PubChem (CID 106100897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).