4-methyl-1-[3-(trifluoromethyl)benzene-5-id-1-yl]imidazole;yttrium

C11H8F3N2Y- — CID 59431281

IUPAC4-methyl-1-[3-(trifluoromethyl)benzene-5-id-1-yl]imidazole;yttrium
SMILESCc1cn(-c2c[c-]cc(C(F)(F)F)c2)cn1.[Y]
InChIInChI=1S/C11H8F3N2.Y/c1-8-6-16(7-15-8)10-4-2-3-9(5-10)11(12,13)14;/h3-7H,1H3;/q-1;
InChIKeyKYTUYIZLLQLKFH-UHFFFAOYSA-N
MW314.10 g/mol
LogP3.00
Rot. Bonds1

About 4-methyl-1-[3-(trifluoromethyl)benzene-5-id-1-yl]imidazole;yttrium

4-methyl-1-[3-(trifluoromethyl)benzene-5-id-1-yl]imidazole;yttrium (PubChem CID 59431281) has the molecular formula C11H8F3N2Y- and a molecular weight of 314.10 g/mol. Its IUPAC name is 4-methyl-1-[3-(trifluoromethyl)benzene-5-id-1-yl]imidazole;yttrium.

Molecular Properties

Compound Name4-methyl-1-[3-(trifluoromethyl)benzene-5-id-1-yl]imidazole;yttrium
PubChem CID59431281
Molecular FormulaC11H8F3N2Y-
Molecular Weight314.10 g/mol
Exact Mass313.97
IUPAC Name4-methyl-1-[3-(trifluoromethyl)benzene-5-id-1-yl]imidazole;yttrium
SMILESCc1cn(-c2c[c-]cc(C(F)(F)F)c2)cn1.[Y]
InChIInChI=1S/C11H8F3N2.Y/c1-8-6-16(7-15-8)10-4-2-3-9(5-10)11(12,13)14;/h3-7H,1H3;/q-1;
InChIKeyKYTUYIZLLQLKFH-UHFFFAOYSA-N
XLogP3.00
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.10
LogP ≤ 53.00
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 4-methyl-1-[3-(trifluoromethyl)benzene-5-id-1-yl]imidazole;yttrium?
The IUPAC name of 4-methyl-1-[3-(trifluoromethyl)benzene-5-id-1-yl]imidazole;yttrium (CID 59431281) is 4-methyl-1-[3-(trifluoromethyl)benzene-5-id-1-yl]imidazole;yttrium.
What is the SMILES notation for 4-methyl-1-[3-(trifluoromethyl)benzene-5-id-1-yl]imidazole;yttrium?
The canonical SMILES for 4-methyl-1-[3-(trifluoromethyl)benzene-5-id-1-yl]imidazole;yttrium is Cc1cn(-c2c[c-]cc(C(F)(F)F)c2)cn1.[Y].
What is the InChIKey of 4-methyl-1-[3-(trifluoromethyl)benzene-5-id-1-yl]imidazole;yttrium?
The InChIKey is KYTUYIZLLQLKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N2.Y/c1-8-6-16(7-15-8)10-4-2-3-9(5-10)11(12,13)14;/h3-7H,1H3;/q-1;.
What are the key properties of 4-methyl-1-[3-(trifluoromethyl)benzene-5-id-1-yl]imidazole;yttrium?
4-methyl-1-[3-(trifluoromethyl)benzene-5-id-1-yl]imidazole;yttrium has a molecular weight of 314.10 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[3-(trifluoromethyl)benzene-5-id-1-yl]imidazole;yttrium is sourced from PubChem (CID 59431281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).