2-(trifluoromethyl)-6H-1,3-benzothiazol-6-ide;yttrium

C8H3F3NSY- — CID 169241255

IUPAC2-(trifluoromethyl)-6H-1,3-benzothiazol-6-ide;yttrium
SMILESFC(F)(F)c1nc2cc[c-]cc2s1.[Y]
InChIInChI=1S/C8H3F3NS.Y/c9-8(10,11)7-12-5-3-1-2-4-6(5)13-7;/h1,3-4H;/q-1;
InChIKeyFLCXJPVRDQGASJ-UHFFFAOYSA-N
MW291.09 g/mol
LogP3.11
Rot. Bonds

About 2-(trifluoromethyl)-6H-1,3-benzothiazol-6-ide;yttrium

2-(trifluoromethyl)-6H-1,3-benzothiazol-6-ide;yttrium (PubChem CID 169241255) has the molecular formula C8H3F3NSY- and a molecular weight of 291.09 g/mol. Its IUPAC name is 2-(trifluoromethyl)-6H-1,3-benzothiazol-6-ide;yttrium.

Molecular Properties

Compound Name2-(trifluoromethyl)-6H-1,3-benzothiazol-6-ide;yttrium
PubChem CID169241255
Molecular FormulaC8H3F3NSY-
Molecular Weight291.09 g/mol
Exact Mass290.90
IUPAC Name2-(trifluoromethyl)-6H-1,3-benzothiazol-6-ide;yttrium
SMILESFC(F)(F)c1nc2cc[c-]cc2s1.[Y]
InChIInChI=1S/C8H3F3NS.Y/c9-8(10,11)7-12-5-3-1-2-4-6(5)13-7;/h1,3-4H;/q-1;
InChIKeyFLCXJPVRDQGASJ-UHFFFAOYSA-N
XLogP3.11
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.09
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(trifluoromethyl)-6H-1,3-benzothiazol-6-ide;yttrium?
The IUPAC name of 2-(trifluoromethyl)-6H-1,3-benzothiazol-6-ide;yttrium (CID 169241255) is 2-(trifluoromethyl)-6H-1,3-benzothiazol-6-ide;yttrium.
What is the SMILES notation for 2-(trifluoromethyl)-6H-1,3-benzothiazol-6-ide;yttrium?
The canonical SMILES for 2-(trifluoromethyl)-6H-1,3-benzothiazol-6-ide;yttrium is FC(F)(F)c1nc2cc[c-]cc2s1.[Y].
What is the InChIKey of 2-(trifluoromethyl)-6H-1,3-benzothiazol-6-ide;yttrium?
The InChIKey is FLCXJPVRDQGASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F3NS.Y/c9-8(10,11)7-12-5-3-1-2-4-6(5)13-7;/h1,3-4H;/q-1;.
What are the key properties of 2-(trifluoromethyl)-6H-1,3-benzothiazol-6-ide;yttrium?
2-(trifluoromethyl)-6H-1,3-benzothiazol-6-ide;yttrium has a molecular weight of 291.09 g/mol, XLogP of 3.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-6H-1,3-benzothiazol-6-ide;yttrium is sourced from PubChem (CID 169241255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).