2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;pentane-2,4-diol;platinum

C21H22F3N2O2Pt- — CID 58330982

About 2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;pentane-2,4-diol;platinum

2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;pentane-2,4-diol;platinum (PubChem CID 58330982) has the molecular formula C21H22F3N2O2Pt- and a molecular weight of 586.49 g/mol. Its IUPAC name is 2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;pentane-2,4-diol;platinum.

Molecular Properties

• Compound Name: 2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;pentane-2,4-diol;platinum
• PubChem CID: 58330982
• Molecular Formula: C21H22F3N2O2Pt-
• Molecular Weight: 586.49 g/mol
• Exact Mass: 586.13
• IUPAC Name: 2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;pentane-2,4-diol;platinum
• SMILES: CC(O)CC(C)O.Cc1nc2ccccc2nc1-c1[c-]cc(C(F)(F)F)cc1.[Pt]
• InChI: InChI=1S/C16H10F3N2.C5H12O2.Pt/c1-10-15(21-14-5-3-2-4-13(14)20-10)11-6-8-12(9-7-11)16(17,18)19;1-4(6)3-5(2)7;/h2-6,8-9H,1H3;4-7H,3H2,1-2H3;/q-1
• InChIKey: ULDQJEOUZAEDEU-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 66.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	586.49
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;pentane-2,4-diol;platinum?

The IUPAC name of 2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;pentane-2,4-diol;platinum (CID 58330982) is 2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;pentane-2,4-diol;platinum.

What is the SMILES notation for 2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;pentane-2,4-diol;platinum?

The canonical SMILES for 2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;pentane-2,4-diol;platinum is CC(O)CC(C)O.Cc1nc2ccccc2nc1-c1[c-]cc(C(F)(F)F)cc1.[Pt].

What is the InChIKey of 2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;pentane-2,4-diol;platinum?

The InChIKey is ULDQJEOUZAEDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N2.C5H12O2.Pt/c1-10-15(21-14-5-3-2-4-13(14)20-10)11-6-8-12(9-7-11)16(17,18)19;1-4(6)3-5(2)7;/h2-6,8-9H,1H3;4-7H,3H2,1-2H3;/q-1;;.

What are the key properties of 2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;pentane-2,4-diol;platinum?

2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;pentane-2,4-diol;platinum has a molecular weight of 586.49 g/mol, XLogP of 4.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;pentane-2,4-diol;platinum is sourced from PubChem (CID 58330982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).