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

C11H20F3NO3 — CID 106101195

IUPAC2-methyl-3-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]oxolan-3-ol
SMILESCC1OCCC1(O)CNCCCOCC(F)(F)F
InChIInChI=1S/C11H20F3NO3/c1-9-10(16,3-6-18-9)7-15-4-2-5-17-8-11(12,13)14/h9,15-16H,2-8H2,1H3
InChIKeyJZUYHGLKJYYANY-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.08
Rot. Bonds7

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

2-methyl-3-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]oxolan-3-ol (PubChem CID 106101195) has the molecular formula C11H20F3NO3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-methyl-3-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name2-methyl-3-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]oxolan-3-ol
PubChem CID106101195
Molecular FormulaC11H20F3NO3
Molecular Weight271.28 g/mol
Exact Mass271.14
IUPAC Name2-methyl-3-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]oxolan-3-ol
SMILESCC1OCCC1(O)CNCCCOCC(F)(F)F
InChIInChI=1S/C11H20F3NO3/c1-9-10(16,3-6-18-9)7-15-4-2-5-17-8-11(12,13)14/h9,15-16H,2-8H2,1H3
InChIKeyJZUYHGLKJYYANY-UHFFFAOYSA-N
XLogP1.08
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.08
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-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]oxolan-3-ol?
The IUPAC name of 2-methyl-3-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]oxolan-3-ol (CID 106101195) is 2-methyl-3-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]oxolan-3-ol.
What is the SMILES notation for 2-methyl-3-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]oxolan-3-ol?
The canonical SMILES for 2-methyl-3-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]oxolan-3-ol is CC1OCCC1(O)CNCCCOCC(F)(F)F.
What is the InChIKey of 2-methyl-3-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]oxolan-3-ol?
The InChIKey is JZUYHGLKJYYANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO3/c1-9-10(16,3-6-18-9)7-15-4-2-5-17-8-11(12,13)14/h9,15-16H,2-8H2,1H3.
What are the key properties of 2-methyl-3-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]oxolan-3-ol?
2-methyl-3-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]oxolan-3-ol has a molecular weight of 271.28 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]oxolan-3-ol is sourced from PubChem (CID 106101195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).