N-(2,2-diethoxyethyl)-2,2,2-trifluoro-N-methylethanamine

C9H18F3NO2 — CID 63618857

IUPACN-(2,2-diethoxyethyl)-2,2,2-trifluoro-N-methylethanamine
SMILESCCOC(CN(C)CC(F)(F)F)OCC
InChIInChI=1S/C9H18F3NO2/c1-4-14-8(15-5-2)6-13(3)7-9(10,11)12/h8H,4-7H2,1-3H3
InChIKeyYAVWJEPMKXHXFX-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.88
Rot. Bonds7

About N-(2,2-diethoxyethyl)-2,2,2-trifluoro-N-methylethanamine

N-(2,2-diethoxyethyl)-2,2,2-trifluoro-N-methylethanamine (PubChem CID 63618857) has the molecular formula C9H18F3NO2 and a molecular weight of 229.24 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-2,2,2-trifluoro-N-methylethanamine.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-2,2,2-trifluoro-N-methylethanamine
PubChem CID63618857
Molecular FormulaC9H18F3NO2
Molecular Weight229.24 g/mol
Exact Mass229.13
IUPAC NameN-(2,2-diethoxyethyl)-2,2,2-trifluoro-N-methylethanamine
SMILESCCOC(CN(C)CC(F)(F)F)OCC
InChIInChI=1S/C9H18F3NO2/c1-4-14-8(15-5-2)6-13(3)7-9(10,11)12/h8H,4-7H2,1-3H3
InChIKeyYAVWJEPMKXHXFX-UHFFFAOYSA-N
XLogP1.88
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,2-Diethoxyethyl)dimethylamine
CID 77163
N,N-bis(2,2-Diethoxyethyl)methylamine
CID 81381
(2,2-Diethoxyethyl)diethylamine
CID 77164
Betainealdehyde Diethylacetal Iodide
CID 6432637
2,2-Diethoxyethyltrimethylammonium hydroxide
CID 18466370
N-(2,2-diethoxy)ethyl-N,N,N-trimethylammonium bromide
CID 129770282
N,N-bis(2-ethoxyethyl)-2,2,2-trifluoroethanamine
CID 57680069
3-fluoro-N-[2-(methoxymethoxy)ethyl]-N-methylpropan-1-amine
CID 57694912
N-(2-fluoroethyl)-2-(methoxymethoxy)-N-methylethanamine
CID 57694913
2-(2,2,2-Trifluoroethoxy)-4,4-dimethylmorpholin-4-ium
CID 71001790
Ethanamine, N-(2,2-diethoxyethyl)-2,2-difluoro-
CID 79006823
(2,2-Diethoxyethyl)-(2,2,2-trifluoroethyl)amine
CID 81095211

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)-2,2,2-trifluoro-N-methylethanamine?
The IUPAC name of N-(2,2-diethoxyethyl)-2,2,2-trifluoro-N-methylethanamine (CID 63618857) is N-(2,2-diethoxyethyl)-2,2,2-trifluoro-N-methylethanamine.
What is the SMILES notation for N-(2,2-diethoxyethyl)-2,2,2-trifluoro-N-methylethanamine?
The canonical SMILES for N-(2,2-diethoxyethyl)-2,2,2-trifluoro-N-methylethanamine is CCOC(CN(C)CC(F)(F)F)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-2,2,2-trifluoro-N-methylethanamine?
The InChIKey is YAVWJEPMKXHXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO2/c1-4-14-8(15-5-2)6-13(3)7-9(10,11)12/h8H,4-7H2,1-3H3.
What are the key properties of N-(2,2-diethoxyethyl)-2,2,2-trifluoro-N-methylethanamine?
N-(2,2-diethoxyethyl)-2,2,2-trifluoro-N-methylethanamine has a molecular weight of 229.24 g/mol, XLogP of 1.88, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)-2,2,2-trifluoro-N-methylethanamine is sourced from PubChem (CID 63618857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).