2-methoxy-N-methyl-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide

C10H18F3NO3 — CID 10801125

IUPAC2-methoxy-N-methyl-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide
SMILESCCC(OCC(F)(F)F)N(C)C(=O)C(C)OC
InChIInChI=1S/C10H18F3NO3/c1-5-8(17-6-10(11,12)13)14(3)9(15)7(2)16-4/h7-8H,5-6H2,1-4H3
InChIKeyQWNUDBUBZVDALC-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.79
Rot. Bonds6

About 2-methoxy-N-methyl-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide

2-methoxy-N-methyl-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide (PubChem CID 10801125) has the molecular formula C10H18F3NO3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-methoxy-N-methyl-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide.

Molecular Properties

Compound Name2-methoxy-N-methyl-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide
PubChem CID10801125
Molecular FormulaC10H18F3NO3
Molecular Weight257.25 g/mol
Exact Mass257.12
IUPAC Name2-methoxy-N-methyl-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide
SMILESCCC(OCC(F)(F)F)N(C)C(=O)C(C)OC
InChIInChI=1S/C10H18F3NO3/c1-5-8(17-6-10(11,12)13)14(3)9(15)7(2)16-4/h7-8H,5-6H2,1-4H3
InChIKeyQWNUDBUBZVDALC-UHFFFAOYSA-N
XLogP1.79
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.79
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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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide?
The IUPAC name of 2-methoxy-N-methyl-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide (CID 10801125) is 2-methoxy-N-methyl-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide.
What is the SMILES notation for 2-methoxy-N-methyl-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide?
The canonical SMILES for 2-methoxy-N-methyl-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide is CCC(OCC(F)(F)F)N(C)C(=O)C(C)OC.
What is the InChIKey of 2-methoxy-N-methyl-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide?
The InChIKey is QWNUDBUBZVDALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3/c1-5-8(17-6-10(11,12)13)14(3)9(15)7(2)16-4/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-methoxy-N-methyl-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide?
2-methoxy-N-methyl-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide has a molecular weight of 257.25 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide is sourced from PubChem (CID 10801125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).