N-(2,2-diethoxyethyl)-2,2,2-trifluoroacetamide

C8H14F3NO3 — CID 12663167

IUPACN-(2,2-diethoxyethyl)-2,2,2-trifluoroacetamide
SMILESCCOC(CNC(=O)C(F)(F)F)OCC
InChIInChI=1S/C8H14F3NO3/c1-3-14-6(15-4-2)5-12-7(13)8(9,10)11/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyYPLMJIOHMZVUDV-UHFFFAOYSA-N
MW229.20 g/mol
LogP1.06
Rot. Bonds6

About N-(2,2-diethoxyethyl)-2,2,2-trifluoroacetamide

N-(2,2-diethoxyethyl)-2,2,2-trifluoroacetamide (PubChem CID 12663167) has the molecular formula C8H14F3NO3 and a molecular weight of 229.20 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-2,2,2-trifluoroacetamide
PubChem CID12663167
Molecular FormulaC8H14F3NO3
Molecular Weight229.20 g/mol
Exact Mass229.09
IUPAC NameN-(2,2-diethoxyethyl)-2,2,2-trifluoroacetamide
SMILESCCOC(CNC(=O)C(F)(F)F)OCC
InChIInChI=1S/C8H14F3NO3/c1-3-14-6(15-4-2)5-12-7(13)8(9,10)11/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyYPLMJIOHMZVUDV-UHFFFAOYSA-N
XLogP1.06
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(2,2-diethoxyethyl)-2,2,2-trifluoroacetamide (CID 12663167) is N-(2,2-diethoxyethyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(2,2-diethoxyethyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(2,2-diethoxyethyl)-2,2,2-trifluoroacetamide is CCOC(CNC(=O)C(F)(F)F)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-2,2,2-trifluoroacetamide?
The InChIKey is YPLMJIOHMZVUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO3/c1-3-14-6(15-4-2)5-12-7(13)8(9,10)11/h6H,3-5H2,1-2H3,(H,12,13).
What are the key properties of N-(2,2-diethoxyethyl)-2,2,2-trifluoroacetamide?
N-(2,2-diethoxyethyl)-2,2,2-trifluoroacetamide has a molecular weight of 229.20 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 12663167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).