[(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methylidene]zirconium(2+)

C15H11F3Zr+2 — CID 87101532

IUPAC[(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methylidene]zirconium(2+)
SMILESCc1ccc(C(=[Zr+2])c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H11F3.Zr/c1-11-5-7-12(8-6-11)9-13-3-2-4-14(10-13)15(16,17)18;/h2-8,10H,1H3;/q;+2
InChIKeyFANUKYHQLGYWMH-UHFFFAOYSA-N
MW339.47 g/mol
LogP4.13
Rot. Bonds2

About [(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methylidene]zirconium(2+)

[(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methylidene]zirconium(2+) (PubChem CID 87101532) has the molecular formula C15H11F3Zr+2 and a molecular weight of 339.47 g/mol. Its IUPAC name is [(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methylidene]zirconium(2+).

Molecular Properties

Compound Name[(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methylidene]zirconium(2+)
PubChem CID87101532
Molecular FormulaC15H11F3Zr+2
Molecular Weight339.47 g/mol
Exact Mass337.98
IUPAC Name[(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methylidene]zirconium(2+)
SMILESCc1ccc(C(=[Zr+2])c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H11F3.Zr/c1-11-5-7-12(8-6-11)9-13-3-2-4-14(10-13)15(16,17)18;/h2-8,10H,1H3;/q;+2
InChIKeyFANUKYHQLGYWMH-UHFFFAOYSA-N
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(E)-2-fluoro-1-(4-methylphenyl)ethenyl]-3-(trifluoromethyl)benzene
CID 102166579
(2,4-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 43337913
(3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 55026756
[4-[3-(trifluoromethyl)benzoyl]phenyl]-[3-(trifluoromethyl)phenyl]methanone
CID 162354741
1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzene
CID 122368794
(2,5-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 43337272
2-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone
CID 60798946
bis[3,5-bis(trifluoromethyl)phenyl]methylidenezirconium(2+)
CID 87101400
1-(4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 62607876
(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methanol
CID 60799413
3-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-one
CID 24725694
(4-bromo-3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 114970207

Frequently Asked Questions

What is the IUPAC name of [(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methylidene]zirconium(2+)?
The IUPAC name of [(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methylidene]zirconium(2+) (CID 87101532) is [(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methylidene]zirconium(2+).
What is the SMILES notation for [(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methylidene]zirconium(2+)?
The canonical SMILES for [(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methylidene]zirconium(2+) is Cc1ccc(C(=[Zr+2])c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of [(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methylidene]zirconium(2+)?
The InChIKey is FANUKYHQLGYWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3.Zr/c1-11-5-7-12(8-6-11)9-13-3-2-4-14(10-13)15(16,17)18;/h2-8,10H,1H3;/q;+2.
What are the key properties of [(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methylidene]zirconium(2+)?
[(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methylidene]zirconium(2+) has a molecular weight of 339.47 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methylidene]zirconium(2+) is sourced from PubChem (CID 87101532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).