4-(trifluoromethyl)benzene-5-ide-1-carbaldehyde;yttrium

C8H4F3OY- — CID 59965095

IUPAC4-(trifluoromethyl)benzene-5-ide-1-carbaldehyde;yttrium
SMILESO=Cc1c[c-]c(C(F)(F)F)cc1.[Y]
InChIInChI=1S/C8H4F3O.Y/c9-8(10,11)7-3-1-6(5-12)2-4-7;/h1-3,5H;/q-1;
InChIKeyHLCNXJAUPHXLGJ-UHFFFAOYSA-N
MW262.02 g/mol
LogP2.32
Rot. Bonds1

About 4-(trifluoromethyl)benzene-5-ide-1-carbaldehyde;yttrium

4-(trifluoromethyl)benzene-5-ide-1-carbaldehyde;yttrium (PubChem CID 59965095) has the molecular formula C8H4F3OY- and a molecular weight of 262.02 g/mol. Its IUPAC name is 4-(trifluoromethyl)benzene-5-ide-1-carbaldehyde;yttrium.

Molecular Properties

Compound Name4-(trifluoromethyl)benzene-5-ide-1-carbaldehyde;yttrium
PubChem CID59965095
Molecular FormulaC8H4F3OY-
Molecular Weight262.02 g/mol
Exact Mass261.93
IUPAC Name4-(trifluoromethyl)benzene-5-ide-1-carbaldehyde;yttrium
SMILESO=Cc1c[c-]c(C(F)(F)F)cc1.[Y]
InChIInChI=1S/C8H4F3O.Y/c9-8(10,11)7-3-1-6(5-12)2-4-7;/h1-3,5H;/q-1;
InChIKeyHLCNXJAUPHXLGJ-UHFFFAOYSA-N
XLogP2.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.02
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)benzene-5-ide-1-carbaldehyde;yttrium?
The IUPAC name of 4-(trifluoromethyl)benzene-5-ide-1-carbaldehyde;yttrium (CID 59965095) is 4-(trifluoromethyl)benzene-5-ide-1-carbaldehyde;yttrium.
What is the SMILES notation for 4-(trifluoromethyl)benzene-5-ide-1-carbaldehyde;yttrium?
The canonical SMILES for 4-(trifluoromethyl)benzene-5-ide-1-carbaldehyde;yttrium is O=Cc1c[c-]c(C(F)(F)F)cc1.[Y].
What is the InChIKey of 4-(trifluoromethyl)benzene-5-ide-1-carbaldehyde;yttrium?
The InChIKey is HLCNXJAUPHXLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3O.Y/c9-8(10,11)7-3-1-6(5-12)2-4-7;/h1-3,5H;/q-1;.
What are the key properties of 4-(trifluoromethyl)benzene-5-ide-1-carbaldehyde;yttrium?
4-(trifluoromethyl)benzene-5-ide-1-carbaldehyde;yttrium has a molecular weight of 262.02 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)benzene-5-ide-1-carbaldehyde;yttrium is sourced from PubChem (CID 59965095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).