N-ethyl-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)propanamide

C11H20F3NO2 — CID 78872945

IUPACN-ethyl-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCN(CC(F)(F)F)C(=O)CCOCC(C)C
InChIInChI=1S/C11H20F3NO2/c1-4-15(8-11(12,13)14)10(16)5-6-17-7-9(2)3/h9H,4-8H2,1-3H3
InChIKeyOHGAJFMKUFZWFN-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.46
Rot. Bonds7

About N-ethyl-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)propanamide

N-ethyl-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 78872945) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-ethyl-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound NameN-ethyl-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID78872945
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC NameN-ethyl-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCN(CC(F)(F)F)C(=O)CCOCC(C)C
InChIInChI=1S/C11H20F3NO2/c1-4-15(8-11(12,13)14)10(16)5-6-17-7-9(2)3/h9H,4-8H2,1-3H3
InChIKeyOHGAJFMKUFZWFN-UHFFFAOYSA-N
XLogP2.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.46
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-ethyl-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of N-ethyl-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)propanamide (CID 78872945) is N-ethyl-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for N-ethyl-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for N-ethyl-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)propanamide is CCN(CC(F)(F)F)C(=O)CCOCC(C)C.
What is the InChIKey of N-ethyl-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is OHGAJFMKUFZWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-4-15(8-11(12,13)14)10(16)5-6-17-7-9(2)3/h9H,4-8H2,1-3H3.
What are the key properties of N-ethyl-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)propanamide?
N-ethyl-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 255.28 g/mol, XLogP of 2.46, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 78872945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).