2,2,2-trifluoro-N-oxido-N-phenylacetamide

C8H5F3NO2- — CID 88752204

IUPAC2,2,2-trifluoro-N-oxido-N-phenylacetamide
SMILESO=C(N([O-])c1ccccc1)C(F)(F)F
InChIInChI=1S/C8H5F3NO2/c9-8(10,11)7(13)12(14)6-4-2-1-3-5-6/h1-5H/q-1
InChIKeyKRMWIAYWBXBPDW-UHFFFAOYSA-N
MW204.13 g/mol
LogP2.08
Rot. Bonds1

About 2,2,2-trifluoro-N-oxido-N-phenylacetamide

2,2,2-trifluoro-N-oxido-N-phenylacetamide (PubChem CID 88752204) has the molecular formula C8H5F3NO2- and a molecular weight of 204.13 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-oxido-N-phenylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-oxido-N-phenylacetamide
PubChem CID88752204
Molecular FormulaC8H5F3NO2-
Molecular Weight204.13 g/mol
Exact Mass204.03
IUPAC Name2,2,2-trifluoro-N-oxido-N-phenylacetamide
SMILESO=C(N([O-])c1ccccc1)C(F)(F)F
InChIInChI=1S/C8H5F3NO2/c9-8(10,11)7(13)12(14)6-4-2-1-3-5-6/h1-5H/q-1
InChIKeyKRMWIAYWBXBPDW-UHFFFAOYSA-N
XLogP2.08
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.13
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2,2,2-trifluoro-N-oxido-N-phenylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-oxido-N-phenylacetamide (CID 88752204) is 2,2,2-trifluoro-N-oxido-N-phenylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-oxido-N-phenylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-oxido-N-phenylacetamide is O=C(N([O-])c1ccccc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-oxido-N-phenylacetamide?
The InChIKey is KRMWIAYWBXBPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3NO2/c9-8(10,11)7(13)12(14)6-4-2-1-3-5-6/h1-5H/q-1.
What are the key properties of 2,2,2-trifluoro-N-oxido-N-phenylacetamide?
2,2,2-trifluoro-N-oxido-N-phenylacetamide has a molecular weight of 204.13 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-oxido-N-phenylacetamide is sourced from PubChem (CID 88752204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).