4,6-difluoro-1,5-dihydrobenzimidazol-5-ide;yttrium

C7H3F2N2Y- — CID 134843630

IUPAC4,6-difluoro-1,5-dihydrobenzimidazol-5-ide;yttrium
SMILESFc1[c-]c(F)c2nc[nH]c2c1.[Y]
InChIInChI=1S/C7H3F2N2.Y/c8-4-1-5(9)7-6(2-4)10-3-11-7;/h2-3H,(H,10,11);/q-1;
InChIKeyJPDSTLFTQGDXCF-UHFFFAOYSA-N
MW242.02 g/mol
LogP1.64
Rot. Bonds

About 4,6-difluoro-1,5-dihydrobenzimidazol-5-ide;yttrium

4,6-difluoro-1,5-dihydrobenzimidazol-5-ide;yttrium (PubChem CID 134843630) has the molecular formula C7H3F2N2Y- and a molecular weight of 242.02 g/mol. Its IUPAC name is 4,6-difluoro-1,5-dihydrobenzimidazol-5-ide;yttrium.

Molecular Properties

Compound Name4,6-difluoro-1,5-dihydrobenzimidazol-5-ide;yttrium
PubChem CID134843630
Molecular FormulaC7H3F2N2Y-
Molecular Weight242.02 g/mol
Exact Mass241.93
IUPAC Name4,6-difluoro-1,5-dihydrobenzimidazol-5-ide;yttrium
SMILESFc1[c-]c(F)c2nc[nH]c2c1.[Y]
InChIInChI=1S/C7H3F2N2.Y/c8-4-1-5(9)7-6(2-4)10-3-11-7;/h2-3H,(H,10,11);/q-1;
InChIKeyJPDSTLFTQGDXCF-UHFFFAOYSA-N
XLogP1.64
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.02
LogP ≤ 51.64
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 4,6-difluoro-1,5-dihydrobenzimidazol-5-ide;yttrium?
The IUPAC name of 4,6-difluoro-1,5-dihydrobenzimidazol-5-ide;yttrium (CID 134843630) is 4,6-difluoro-1,5-dihydrobenzimidazol-5-ide;yttrium.
What is the SMILES notation for 4,6-difluoro-1,5-dihydrobenzimidazol-5-ide;yttrium?
The canonical SMILES for 4,6-difluoro-1,5-dihydrobenzimidazol-5-ide;yttrium is Fc1[c-]c(F)c2nc[nH]c2c1.[Y].
What is the InChIKey of 4,6-difluoro-1,5-dihydrobenzimidazol-5-ide;yttrium?
The InChIKey is JPDSTLFTQGDXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F2N2.Y/c8-4-1-5(9)7-6(2-4)10-3-11-7;/h2-3H,(H,10,11);/q-1;.
What are the key properties of 4,6-difluoro-1,5-dihydrobenzimidazol-5-ide;yttrium?
4,6-difluoro-1,5-dihydrobenzimidazol-5-ide;yttrium has a molecular weight of 242.02 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-1,5-dihydrobenzimidazol-5-ide;yttrium is sourced from PubChem (CID 134843630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).