2,2,2-trifluoro-N-phenoxyacetamide

C8H6F3NO2 — CID 86124440

IUPAC2,2,2-trifluoro-N-phenoxyacetamide
SMILESO=C(NOc1ccccc1)C(F)(F)F
InChIInChI=1S/C8H6F3NO2/c9-8(10,11)7(13)12-14-6-4-2-1-3-5-6/h1-5H,(H,12,13)
InChIKeyBMALVZKFRORWIF-UHFFFAOYSA-N
MW205.14 g/mol
LogP1.66
Rot. Bonds2

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

2,2,2-trifluoro-N-phenoxyacetamide (PubChem CID 86124440) has the molecular formula C8H6F3NO2 and a molecular weight of 205.14 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-phenoxyacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-phenoxyacetamide
PubChem CID86124440
Molecular FormulaC8H6F3NO2
Molecular Weight205.14 g/mol
Exact Mass205.04
IUPAC Name2,2,2-trifluoro-N-phenoxyacetamide
SMILESO=C(NOc1ccccc1)C(F)(F)F
InChIInChI=1S/C8H6F3NO2/c9-8(10,11)7(13)12-14-6-4-2-1-3-5-6/h1-5H,(H,12,13)
InChIKeyBMALVZKFRORWIF-UHFFFAOYSA-N
XLogP1.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.14
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,2-trifluoro-N-phenoxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-phenoxyacetamide?
The IUPAC name of 2,2,2-trifluoro-N-phenoxyacetamide (CID 86124440) is 2,2,2-trifluoro-N-phenoxyacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-phenoxyacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-phenoxyacetamide is O=C(NOc1ccccc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-phenoxyacetamide?
The InChIKey is BMALVZKFRORWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO2/c9-8(10,11)7(13)12-14-6-4-2-1-3-5-6/h1-5H,(H,12,13).
What are the key properties of 2,2,2-trifluoro-N-phenoxyacetamide?
2,2,2-trifluoro-N-phenoxyacetamide has a molecular weight of 205.14 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-phenoxyacetamide is sourced from PubChem (CID 86124440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).