2,2,2-trifluoro-N-phenylacetamide;yttrium(3+)

C8H5F3NOY+2 — CID 54717323

IUPAC2,2,2-trifluoro-N-phenylacetamide;yttrium(3+)
SMILESO=C(Nc1[c-]cccc1)C(F)(F)F.[Y+3]
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;+3
InChIKeyVGBDRZLYKQPLGQ-UHFFFAOYSA-N
MW277.03 g/mol
LogP1.99
Rot. Bonds1

About 2,2,2-trifluoro-N-phenylacetamide;yttrium(3+)

2,2,2-trifluoro-N-phenylacetamide;yttrium(3+) (PubChem CID 54717323) has the molecular formula C8H5F3NOY+2 and a molecular weight of 277.03 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-phenylacetamide;yttrium(3+).

Molecular Properties

Compound Name2,2,2-trifluoro-N-phenylacetamide;yttrium(3+)
PubChem CID54717323
Molecular FormulaC8H5F3NOY+2
Molecular Weight277.03 g/mol
Exact Mass276.94
IUPAC Name2,2,2-trifluoro-N-phenylacetamide;yttrium(3+)
SMILESO=C(Nc1[c-]cccc1)C(F)(F)F.[Y+3]
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;+3
InChIKeyVGBDRZLYKQPLGQ-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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Related Compounds

calcium;bis(2-methylpropane);N-phenylcarbamate
CID 87412157
2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
CID 5013683
N-(3-acetamidophenyl)-2,2,2-trifluoroacetamide
CID 895724
2,2,2-trifluoro-N-pyridin-4-ylacetamide
CID 4095205
4-[(2,2,2-trifluoroacetyl)amino]phenolate
CID 171407160
N-(3-bromoquinoxalin-2-yl)-2,2,2-trifluoroacetamide
CID 11244107
N-(4-chloro-3-formylphenyl)-2,2,2-trifluoroacetamide
CID 142053542
2,5-dichloro-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide
CID 108933296
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2,2,2-trifluoroacetamide
CID 19256591
N-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroacetamide
CID 103646595
N-(2-amino-4-chlorophenyl)-2,2,2-trifluoroacetamide
CID 14399786
N-(2-ethenylphenyl)-2,2,2-trifluoroacetamide
CID 11127643

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-phenylacetamide;yttrium(3+)?
The IUPAC name of 2,2,2-trifluoro-N-phenylacetamide;yttrium(3+) (CID 54717323) is 2,2,2-trifluoro-N-phenylacetamide;yttrium(3+).
What is the SMILES notation for 2,2,2-trifluoro-N-phenylacetamide;yttrium(3+)?
The canonical SMILES for 2,2,2-trifluoro-N-phenylacetamide;yttrium(3+) is O=C(Nc1[c-]cccc1)C(F)(F)F.[Y+3].
What is the InChIKey of 2,2,2-trifluoro-N-phenylacetamide;yttrium(3+)?
The InChIKey is VGBDRZLYKQPLGQ-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;+3.
What are the key properties of 2,2,2-trifluoro-N-phenylacetamide;yttrium(3+)?
2,2,2-trifluoro-N-phenylacetamide;yttrium(3+) 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(3+) is sourced from PubChem (CID 54717323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).