CID 148573794

C26H23FIO3- — CID 148573794

About CID 148573794

CID 148573794 (PubChem CID 148573794) has the molecular formula C26H23FIO3- and a molecular weight of 529.37 g/mol.

Molecular Properties

• Compound Name: CID 148573794
• PubChem CID: 148573794
• Molecular Formula: C26H23FIO3-
• Molecular Weight: 529.37 g/mol
• Exact Mass: 529.07
• IUPAC Name: —
• SMILES: Cc1cccc(C)c1-c1ccc(F)c(COC2=C[I-]C=C3C(=C2)C[C@H]2[C@H](C(=O)O)[C@@H]32)c1
• InChI: InChI=1S/C26H23FIO3/c1-14-4-3-5-15(2)23(14)16-6-7-22(27)18(8-16)13-31-19-9-17-10-20-24(25(20)26(29)30)21(17)12-28-11-19/h3-9,11-12,20,24-25H,10,13H2,1-2H3,(H,29,30)/q-1/t20-,24-,25+/m1/s1
• InChIKey: WISXITUIIHDMBZ-ZPZUNKDASA-N
• XLogP: 2.73
• TPSA: 46.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.37
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 148573794?

The IUPAC name of CID 148573794 (CID 148573794) is not available.

What is the SMILES notation for CID 148573794?

The canonical SMILES for CID 148573794 is Cc1cccc(C)c1-c1ccc(F)c(COC2=C[I-]C=C3C(=C2)C[C@H]2[C@H](C(=O)O)[C@@H]32)c1.

What is the InChIKey of CID 148573794?

The InChIKey is WISXITUIIHDMBZ-ZPZUNKDASA-N. The full InChI is InChI=1S/C26H23FIO3/c1-14-4-3-5-15(2)23(14)16-6-7-22(27)18(8-16)13-31-19-9-17-10-20-24(25(20)26(29)30)21(17)12-28-11-19/h3-9,11-12,20,24-25H,10,13H2,1-2H3,(H,29,30)/q-1/t20-,24-,25+/m1/s1.

What are the key properties of CID 148573794?

CID 148573794 has a molecular weight of 529.37 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for CID 148573794 is sourced from PubChem (CID 148573794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).