2-amino-N-(2-ethoxyethyl)-3,3,3-trifluoro-2-methylpropanamide

C8H15F3N2O2 — CID 79797358

IUPAC2-amino-N-(2-ethoxyethyl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCCOCCNC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-3-15-5-4-13-6(14)7(2,12)8(9,10)11/h3-5,12H2,1-2H3,(H,13,14)
InChIKeyDIEDOULTCHHBKJ-UHFFFAOYSA-N
MW228.21 g/mol
LogP0.42
Rot. Bonds5

About 2-amino-N-(2-ethoxyethyl)-3,3,3-trifluoro-2-methylpropanamide

2-amino-N-(2-ethoxyethyl)-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 79797358) has the molecular formula C8H15F3N2O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is 2-amino-N-(2-ethoxyethyl)-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(2-ethoxyethyl)-3,3,3-trifluoro-2-methylpropanamide
PubChem CID79797358
Molecular FormulaC8H15F3N2O2
Molecular Weight228.21 g/mol
Exact Mass228.11
IUPAC Name2-amino-N-(2-ethoxyethyl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCCOCCNC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-3-15-5-4-13-6(14)7(2,12)8(9,10)11/h3-5,12H2,1-2H3,(H,13,14)
InChIKeyDIEDOULTCHHBKJ-UHFFFAOYSA-N
XLogP0.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-amino-N-(2-ethoxyethyl)-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2-amino-N-(2-ethoxyethyl)-3,3,3-trifluoro-2-methylpropanamide (CID 79797358) is 2-amino-N-(2-ethoxyethyl)-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-(2-ethoxyethyl)-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2-amino-N-(2-ethoxyethyl)-3,3,3-trifluoro-2-methylpropanamide is CCOCCNC(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-N-(2-ethoxyethyl)-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is DIEDOULTCHHBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2/c1-3-15-5-4-13-6(14)7(2,12)8(9,10)11/h3-5,12H2,1-2H3,(H,13,14).
What are the key properties of 2-amino-N-(2-ethoxyethyl)-3,3,3-trifluoro-2-methylpropanamide?
2-amino-N-(2-ethoxyethyl)-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 228.21 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-ethoxyethyl)-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 79797358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).