N-ethoxy-2,2,2-trifluoro-N-phenoxyacetamide

C10H10F3NO3 — CID 87177018

IUPACN-ethoxy-2,2,2-trifluoro-N-phenoxyacetamide
SMILESCCON(Oc1ccccc1)C(=O)C(F)(F)F
InChIInChI=1S/C10H10F3NO3/c1-2-16-14(9(15)10(11,12)13)17-8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyFKKAFVGDZFSMON-UHFFFAOYSA-N
MW249.19 g/mol
LogP2.32
Rot. Bonds4

About N-ethoxy-2,2,2-trifluoro-N-phenoxyacetamide

N-ethoxy-2,2,2-trifluoro-N-phenoxyacetamide (PubChem CID 87177018) has the molecular formula C10H10F3NO3 and a molecular weight of 249.19 g/mol. Its IUPAC name is N-ethoxy-2,2,2-trifluoro-N-phenoxyacetamide.

Molecular Properties

Compound NameN-ethoxy-2,2,2-trifluoro-N-phenoxyacetamide
PubChem CID87177018
Molecular FormulaC10H10F3NO3
Molecular Weight249.19 g/mol
Exact Mass249.06
IUPAC NameN-ethoxy-2,2,2-trifluoro-N-phenoxyacetamide
SMILESCCON(Oc1ccccc1)C(=O)C(F)(F)F
InChIInChI=1S/C10H10F3NO3/c1-2-16-14(9(15)10(11,12)13)17-8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyFKKAFVGDZFSMON-UHFFFAOYSA-N
XLogP2.32
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethoxy-2,2,2-trifluoro-N-phenoxyacetamide?
The IUPAC name of N-ethoxy-2,2,2-trifluoro-N-phenoxyacetamide (CID 87177018) is N-ethoxy-2,2,2-trifluoro-N-phenoxyacetamide.
What is the SMILES notation for N-ethoxy-2,2,2-trifluoro-N-phenoxyacetamide?
The canonical SMILES for N-ethoxy-2,2,2-trifluoro-N-phenoxyacetamide is CCON(Oc1ccccc1)C(=O)C(F)(F)F.
What is the InChIKey of N-ethoxy-2,2,2-trifluoro-N-phenoxyacetamide?
The InChIKey is FKKAFVGDZFSMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3/c1-2-16-14(9(15)10(11,12)13)17-8-6-4-3-5-7-8/h3-7H,2H2,1H3.
What are the key properties of N-ethoxy-2,2,2-trifluoro-N-phenoxyacetamide?
N-ethoxy-2,2,2-trifluoro-N-phenoxyacetamide has a molecular weight of 249.19 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2,2,2-trifluoro-N-phenoxyacetamide is sourced from PubChem (CID 87177018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).