ZSYDCZXMVUGJLC-UHFFFAOYSA-N

C₂₁H₁₅F₂NO — CID 132529069

About ZSYDCZXMVUGJLC-UHFFFAOYSA-N

ZSYDCZXMVUGJLC-UHFFFAOYSA-N (PubChem CID 132529069) has the molecular formula C₂₁H₁₅F₂NO and a molecular weight of 335.35 g/mol. Its IUPAC name is 6-[difluoro-(4-methoxyphenyl)methyl]phenanthridine.

Molecular Properties

• Compound Name: ZSYDCZXMVUGJLC-UHFFFAOYSA-N
• PubChem CID: 132529069
• Molecular Formula: C₂₁H₁₅F₂NO
• Molecular Weight: 335.35 g/mol
• Exact Mass: 335.11
• IUPAC Name: 6-[difluoro-(4-methoxyphenyl)methyl]phenanthridine
• SMILES: COc1ccc(C(F)(F)c2nc3ccccc3c3ccccc23)cc1
• InChI: InChI=1S/C21H15F2NO/c1-25-15-12-10-14(11-13-15)21(22,23)20-18-8-3-2-6-16(18)17-7-4-5-9-19(17)24-20/h2-13H,1H3
• InChIKey: ZSYDCZXMVUGJLC-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 22.12 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	335.35
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ZSYDCZXMVUGJLC-UHFFFAOYSA-N?

The IUPAC name of ZSYDCZXMVUGJLC-UHFFFAOYSA-N (CID 132529069) is 6-[difluoro-(4-methoxyphenyl)methyl]phenanthridine.

What is the SMILES notation for ZSYDCZXMVUGJLC-UHFFFAOYSA-N?

The canonical SMILES for ZSYDCZXMVUGJLC-UHFFFAOYSA-N is COc1ccc(C(F)(F)c2nc3ccccc3c3ccccc23)cc1.

What is the InChIKey of ZSYDCZXMVUGJLC-UHFFFAOYSA-N?

The InChIKey is ZSYDCZXMVUGJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2NO/c1-25-15-12-10-14(11-13-15)21(22,23)20-18-8-3-2-6-16(18)17-7-4-5-9-19(17)24-20/h2-13H,1H3.

What are the key properties of ZSYDCZXMVUGJLC-UHFFFAOYSA-N?

ZSYDCZXMVUGJLC-UHFFFAOYSA-N has a molecular weight of 335.35 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for ZSYDCZXMVUGJLC-UHFFFAOYSA-N is sourced from PubChem (CID 132529069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 132529069 — identifiers, structure, computed properties (public domain)

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