1,1,1-triethoxy-3-(2,2,2-trifluoroethoxy)propane

C11H21F3O4 — CID 103150210

IUPAC1,1,1-triethoxy-3-(2,2,2-trifluoroethoxy)propane
SMILESCCOC(CCOCC(F)(F)F)(OCC)OCC
InChIInChI=1S/C11H21F3O4/c1-4-16-11(17-5-2,18-6-3)7-8-15-9-10(12,13)14/h4-9H2,1-3H3
InChIKeyHYOYBDGTDWUFEM-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.72
Rot. Bonds10

About 1,1,1-triethoxy-3-(2,2,2-trifluoroethoxy)propane

1,1,1-triethoxy-3-(2,2,2-trifluoroethoxy)propane (PubChem CID 103150210) has the molecular formula C11H21F3O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 1,1,1-triethoxy-3-(2,2,2-trifluoroethoxy)propane.

Molecular Properties

Compound Name1,1,1-triethoxy-3-(2,2,2-trifluoroethoxy)propane
PubChem CID103150210
Molecular FormulaC11H21F3O4
Molecular Weight274.28 g/mol
Exact Mass274.14
IUPAC Name1,1,1-triethoxy-3-(2,2,2-trifluoroethoxy)propane
SMILESCCOC(CCOCC(F)(F)F)(OCC)OCC
InChIInChI=1S/C11H21F3O4/c1-4-16-11(17-5-2,18-6-3)7-8-15-9-10(12,13)14/h4-9H2,1-3H3
InChIKeyHYOYBDGTDWUFEM-UHFFFAOYSA-N
XLogP2.72
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-triethoxy-3-(2,2,2-trifluoroethoxy)propane?
The IUPAC name of 1,1,1-triethoxy-3-(2,2,2-trifluoroethoxy)propane (CID 103150210) is 1,1,1-triethoxy-3-(2,2,2-trifluoroethoxy)propane.
What is the SMILES notation for 1,1,1-triethoxy-3-(2,2,2-trifluoroethoxy)propane?
The canonical SMILES for 1,1,1-triethoxy-3-(2,2,2-trifluoroethoxy)propane is CCOC(CCOCC(F)(F)F)(OCC)OCC.
What is the InChIKey of 1,1,1-triethoxy-3-(2,2,2-trifluoroethoxy)propane?
The InChIKey is HYOYBDGTDWUFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3O4/c1-4-16-11(17-5-2,18-6-3)7-8-15-9-10(12,13)14/h4-9H2,1-3H3.
What are the key properties of 1,1,1-triethoxy-3-(2,2,2-trifluoroethoxy)propane?
1,1,1-triethoxy-3-(2,2,2-trifluoroethoxy)propane has a molecular weight of 274.28 g/mol, XLogP of 2.72, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-triethoxy-3-(2,2,2-trifluoroethoxy)propane is sourced from PubChem (CID 103150210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).