N-(2,2-difluoroethyl)-2,2-diethoxyethanamine

C8H17F2NO2 — CID 79006823

IUPACN-(2,2-difluoroethyl)-2,2-diethoxyethanamine
SMILESCCOC(CNCC(F)F)OCC
InChIInChI=1S/C8H17F2NO2/c1-3-12-8(13-4-2)6-11-5-7(9)10/h7-8,11H,3-6H2,1-2H3
InChIKeyLEIJSNJQMBZSCJ-UHFFFAOYSA-N
MW197.22 g/mol
LogP1.24
Rot. Bonds8

About N-(2,2-difluoroethyl)-2,2-diethoxyethanamine

N-(2,2-difluoroethyl)-2,2-diethoxyethanamine (PubChem CID 79006823) has the molecular formula C8H17F2NO2 and a molecular weight of 197.22 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2,2-diethoxyethanamine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2,2-diethoxyethanamine
PubChem CID79006823
Molecular FormulaC8H17F2NO2
Molecular Weight197.22 g/mol
Exact Mass197.12
IUPAC NameN-(2,2-difluoroethyl)-2,2-diethoxyethanamine
SMILESCCOC(CNCC(F)F)OCC
InChIInChI=1S/C8H17F2NO2/c1-3-12-8(13-4-2)6-11-5-7(9)10/h7-8,11H,3-6H2,1-2H3
InChIKeyLEIJSNJQMBZSCJ-UHFFFAOYSA-N
XLogP1.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 51.24
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-difluoroethyl)-2,2-diethoxyethanamine?
The IUPAC name of N-(2,2-difluoroethyl)-2,2-diethoxyethanamine (CID 79006823) is N-(2,2-difluoroethyl)-2,2-diethoxyethanamine.
What is the SMILES notation for N-(2,2-difluoroethyl)-2,2-diethoxyethanamine?
The canonical SMILES for N-(2,2-difluoroethyl)-2,2-diethoxyethanamine is CCOC(CNCC(F)F)OCC.
What is the InChIKey of N-(2,2-difluoroethyl)-2,2-diethoxyethanamine?
The InChIKey is LEIJSNJQMBZSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO2/c1-3-12-8(13-4-2)6-11-5-7(9)10/h7-8,11H,3-6H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-2,2-diethoxyethanamine?
N-(2,2-difluoroethyl)-2,2-diethoxyethanamine has a molecular weight of 197.22 g/mol, XLogP of 1.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2,2-diethoxyethanamine is sourced from PubChem (CID 79006823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).