2,2-diethoxy-N-(2,2,2-trifluoroethoxy)ethanamine

C8H16F3NO3 — CID 82722855

IUPAC2,2-diethoxy-N-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCOC(CNOCC(F)(F)F)OCC
InChIInChI=1S/C8H16F3NO3/c1-3-13-7(14-4-2)5-12-15-6-8(9,10)11/h7,12H,3-6H2,1-2H3
InChIKeyFVTZTLZQPRHGBY-UHFFFAOYSA-N
MW231.21 g/mol
LogP1.47
Rot. Bonds8

About 2,2-diethoxy-N-(2,2,2-trifluoroethoxy)ethanamine

2,2-diethoxy-N-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 82722855) has the molecular formula C8H16F3NO3 and a molecular weight of 231.21 g/mol. Its IUPAC name is 2,2-diethoxy-N-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name2,2-diethoxy-N-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID82722855
Molecular FormulaC8H16F3NO3
Molecular Weight231.21 g/mol
Exact Mass231.11
IUPAC Name2,2-diethoxy-N-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCOC(CNOCC(F)(F)F)OCC
InChIInChI=1S/C8H16F3NO3/c1-3-13-7(14-4-2)5-12-15-6-8(9,10)11/h7,12H,3-6H2,1-2H3
InChIKeyFVTZTLZQPRHGBY-UHFFFAOYSA-N
XLogP1.47
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 51.47
H-Bond Donors ≤ 51
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-N-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 2,2-diethoxy-N-(2,2,2-trifluoroethoxy)ethanamine (CID 82722855) is 2,2-diethoxy-N-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 2,2-diethoxy-N-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 2,2-diethoxy-N-(2,2,2-trifluoroethoxy)ethanamine is CCOC(CNOCC(F)(F)F)OCC.
What is the InChIKey of 2,2-diethoxy-N-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is FVTZTLZQPRHGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO3/c1-3-13-7(14-4-2)5-12-15-6-8(9,10)11/h7,12H,3-6H2,1-2H3.
What are the key properties of 2,2-diethoxy-N-(2,2,2-trifluoroethoxy)ethanamine?
2,2-diethoxy-N-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 231.21 g/mol, XLogP of 1.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-N-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 82722855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).