2,2,2-trifluoro-N-phenylacetamide;yttrium

C8H5F3NOY- — CID 59101643

IUPAC2,2,2-trifluoro-N-phenylacetamide;yttrium
SMILESO=C(Nc1[c-]cccc1)C(F)(F)F.[Y]
InChIInChI=1S/C8H5F3NO.Y/c9-8(10,11)7(13)12-6-4-2-1-3-5-6;/h1-4H,(H,12,13);/q-1;
InChIKeyVGTIZVQJVKZQNU-UHFFFAOYSA-N
MW277.03 g/mol
LogP1.99
Rot. Bonds1

About 2,2,2-trifluoro-N-phenylacetamide;yttrium

2,2,2-trifluoro-N-phenylacetamide;yttrium (PubChem CID 59101643) has the molecular formula C8H5F3NOY- and a molecular weight of 277.03 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-phenylacetamide;yttrium.

Molecular Properties

Compound Name2,2,2-trifluoro-N-phenylacetamide;yttrium
PubChem CID59101643
Molecular FormulaC8H5F3NOY-
Molecular Weight277.03 g/mol
Exact Mass276.94
IUPAC Name2,2,2-trifluoro-N-phenylacetamide;yttrium
SMILESO=C(Nc1[c-]cccc1)C(F)(F)F.[Y]
InChIInChI=1S/C8H5F3NO.Y/c9-8(10,11)7(13)12-6-4-2-1-3-5-6;/h1-4H,(H,12,13);/q-1;
InChIKeyVGTIZVQJVKZQNU-UHFFFAOYSA-N
XLogP1.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.03
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-phenylacetamide;yttrium?
The IUPAC name of 2,2,2-trifluoro-N-phenylacetamide;yttrium (CID 59101643) is 2,2,2-trifluoro-N-phenylacetamide;yttrium.
What is the SMILES notation for 2,2,2-trifluoro-N-phenylacetamide;yttrium?
The canonical SMILES for 2,2,2-trifluoro-N-phenylacetamide;yttrium is O=C(Nc1[c-]cccc1)C(F)(F)F.[Y].
What is the InChIKey of 2,2,2-trifluoro-N-phenylacetamide;yttrium?
The InChIKey is VGTIZVQJVKZQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3NO.Y/c9-8(10,11)7(13)12-6-4-2-1-3-5-6;/h1-4H,(H,12,13);/q-1;.
What are the key properties of 2,2,2-trifluoro-N-phenylacetamide;yttrium?
2,2,2-trifluoro-N-phenylacetamide;yttrium has a molecular weight of 277.03 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-phenylacetamide;yttrium is sourced from PubChem (CID 59101643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).