3-(2-methylpropoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide

C11H20F3NO3 — CID 78873719

IUPAC3-(2-methylpropoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
SMILESCC(C)COCCC(=O)NCCOCC(F)(F)F
InChIInChI=1S/C11H20F3NO3/c1-9(2)7-17-5-3-10(16)15-4-6-18-8-11(12,13)14/h9H,3-8H2,1-2H3,(H,15,16)
InChIKeyTXJOFYBTPGZVKT-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.74
Rot. Bonds9

About 3-(2-methylpropoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide

3-(2-methylpropoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide (PubChem CID 78873719) has the molecular formula C11H20F3NO3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 3-(2-methylpropoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-methylpropoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
PubChem CID78873719
Molecular FormulaC11H20F3NO3
Molecular Weight271.28 g/mol
Exact Mass271.14
IUPAC Name3-(2-methylpropoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
SMILESCC(C)COCCC(=O)NCCOCC(F)(F)F
InChIInChI=1S/C11H20F3NO3/c1-9(2)7-17-5-3-10(16)15-4-6-18-8-11(12,13)14/h9H,3-8H2,1-2H3,(H,15,16)
InChIKeyTXJOFYBTPGZVKT-UHFFFAOYSA-N
XLogP1.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
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 3-(2-methylpropoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide?
The IUPAC name of 3-(2-methylpropoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide (CID 78873719) is 3-(2-methylpropoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide.
What is the SMILES notation for 3-(2-methylpropoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide?
The canonical SMILES for 3-(2-methylpropoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide is CC(C)COCCC(=O)NCCOCC(F)(F)F.
What is the InChIKey of 3-(2-methylpropoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide?
The InChIKey is TXJOFYBTPGZVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO3/c1-9(2)7-17-5-3-10(16)15-4-6-18-8-11(12,13)14/h9H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 3-(2-methylpropoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide?
3-(2-methylpropoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide has a molecular weight of 271.28 g/mol, XLogP of 1.74, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide is sourced from PubChem (CID 78873719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).