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

C9H16F3NO3 — CID 10586295

IUPAC2-methoxy-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide
SMILESCCC(NC(=O)C(C)OC)OCC(F)(F)F
InChIInChI=1S/C9H16F3NO3/c1-4-7(16-5-9(10,11)12)13-8(14)6(2)15-3/h6-7H,4-5H2,1-3H3,(H,13,14)
InChIKeyZLFJVKVUEADFRP-UHFFFAOYSA-N
MW243.22 g/mol
LogP1.45
Rot. Bonds6

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

2-methoxy-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide (PubChem CID 10586295) has the molecular formula C9H16F3NO3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 2-methoxy-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide.

Molecular Properties

Compound Name2-methoxy-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide
PubChem CID10586295
Molecular FormulaC9H16F3NO3
Molecular Weight243.22 g/mol
Exact Mass243.11
IUPAC Name2-methoxy-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide
SMILESCCC(NC(=O)C(C)OC)OCC(F)(F)F
InChIInChI=1S/C9H16F3NO3/c1-4-7(16-5-9(10,11)12)13-8(14)6(2)15-3/h6-7H,4-5H2,1-3H3,(H,13,14)
InChIKeyZLFJVKVUEADFRP-UHFFFAOYSA-N
XLogP1.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 51.45
H-Bond Donors ≤ 51
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-[1-(2,2,2-trifluoroethoxy)propyl]propanamide?
The IUPAC name of 2-methoxy-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide (CID 10586295) is 2-methoxy-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide.
What is the SMILES notation for 2-methoxy-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide?
The canonical SMILES for 2-methoxy-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide is CCC(NC(=O)C(C)OC)OCC(F)(F)F.
What is the InChIKey of 2-methoxy-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide?
The InChIKey is ZLFJVKVUEADFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3/c1-4-7(16-5-9(10,11)12)13-8(14)6(2)15-3/h6-7H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 2-methoxy-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide?
2-methoxy-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide has a molecular weight of 243.22 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide is sourced from PubChem (CID 10586295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).