N-(2-ethoxyethyl)-N-ethyl-2,2,2-trifluoroacetamide

C8H14F3NO2 — CID 63719353

IUPACN-(2-ethoxyethyl)-N-ethyl-2,2,2-trifluoroacetamide
SMILESCCOCCN(CC)C(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-3-12(5-6-14-4-2)7(13)8(9,10)11/h3-6H2,1-2H3
InChIKeyJPGIFEWXUHGZTM-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.43
Rot. Bonds5

About N-(2-ethoxyethyl)-N-ethyl-2,2,2-trifluoroacetamide

N-(2-ethoxyethyl)-N-ethyl-2,2,2-trifluoroacetamide (PubChem CID 63719353) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-ethyl-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-ethyl-2,2,2-trifluoroacetamide
PubChem CID63719353
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC NameN-(2-ethoxyethyl)-N-ethyl-2,2,2-trifluoroacetamide
SMILESCCOCCN(CC)C(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-3-12(5-6-14-4-2)7(13)8(9,10)11/h3-6H2,1-2H3
InChIKeyJPGIFEWXUHGZTM-UHFFFAOYSA-N
XLogP1.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-N-ethyl-2,2,2-trifluoroacetamide?
The IUPAC name of N-(2-ethoxyethyl)-N-ethyl-2,2,2-trifluoroacetamide (CID 63719353) is N-(2-ethoxyethyl)-N-ethyl-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(2-ethoxyethyl)-N-ethyl-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(2-ethoxyethyl)-N-ethyl-2,2,2-trifluoroacetamide is CCOCCN(CC)C(=O)C(F)(F)F.
What is the InChIKey of N-(2-ethoxyethyl)-N-ethyl-2,2,2-trifluoroacetamide?
The InChIKey is JPGIFEWXUHGZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-3-12(5-6-14-4-2)7(13)8(9,10)11/h3-6H2,1-2H3.
What are the key properties of N-(2-ethoxyethyl)-N-ethyl-2,2,2-trifluoroacetamide?
N-(2-ethoxyethyl)-N-ethyl-2,2,2-trifluoroacetamide has a molecular weight of 213.20 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N-ethyl-2,2,2-trifluoroacetamide is sourced from PubChem (CID 63719353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).