N-(2,2-diethoxyethyl)-2,2,2-trifluoroethanamine

C8H16F3NO2 — CID 81095211

IUPACN-(2,2-diethoxyethyl)-2,2,2-trifluoroethanamine
SMILESCCOC(CNCC(F)(F)F)OCC
InChIInChI=1S/C8H16F3NO2/c1-3-13-7(14-4-2)5-12-6-8(9,10)11/h7,12H,3-6H2,1-2H3
InChIKeySVEYVYBUATYXRL-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.54
Rot. Bonds7

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

N-(2,2-diethoxyethyl)-2,2,2-trifluoroethanamine (PubChem CID 81095211) has the molecular formula C8H16F3NO2 and a molecular weight of 215.21 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-2,2,2-trifluoroethanamine
PubChem CID81095211
Molecular FormulaC8H16F3NO2
Molecular Weight215.21 g/mol
Exact Mass215.11
IUPAC NameN-(2,2-diethoxyethyl)-2,2,2-trifluoroethanamine
SMILESCCOC(CNCC(F)(F)F)OCC
InChIInChI=1S/C8H16F3NO2/c1-3-13-7(14-4-2)5-12-6-8(9,10)11/h7,12H,3-6H2,1-2H3
InChIKeySVEYVYBUATYXRL-UHFFFAOYSA-N
XLogP1.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2,2-diethoxyethyl)-2,2,2-trifluoroethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)-2,2,2-trifluoroethanamine?
The IUPAC name of N-(2,2-diethoxyethyl)-2,2,2-trifluoroethanamine (CID 81095211) is N-(2,2-diethoxyethyl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-(2,2-diethoxyethyl)-2,2,2-trifluoroethanamine?
The canonical SMILES for N-(2,2-diethoxyethyl)-2,2,2-trifluoroethanamine is CCOC(CNCC(F)(F)F)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-2,2,2-trifluoroethanamine?
The InChIKey is SVEYVYBUATYXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO2/c1-3-13-7(14-4-2)5-12-6-8(9,10)11/h7,12H,3-6H2,1-2H3.
What are the key properties of N-(2,2-diethoxyethyl)-2,2,2-trifluoroethanamine?
N-(2,2-diethoxyethyl)-2,2,2-trifluoroethanamine has a molecular weight of 215.21 g/mol, XLogP of 1.54, 7 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-trifluoroethanamine is sourced from PubChem (CID 81095211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).