FNW

C₁₀H₆Cl₂F₃N₃O — CID 146425100

About FNW

FNW (PubChem CID 146425100) has the molecular formula C₁₀H₆Cl₂F₃N₃O and a molecular weight of 312.08 g/mol. Its IUPAC name is [1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazol-4-yl]methanol.

Molecular Properties

• Compound Name: FNW
• PubChem CID: 146425100
• Molecular Formula: C₁₀H₆Cl₂F₃N₃O
• Molecular Weight: 312.08 g/mol
• Exact Mass: 310.98
• IUPAC Name: [1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazol-4-yl]methanol
• SMILES: OCc1cn(-c2ccc(Cl)c(C(F)(F)F)c2Cl)nn1
• InChI: InChI=1S/C10H6Cl2F3N3O/c11-6-1-2-7(9(12)8(6)10(13,14)15)18-3-5(4-19)16-17-18/h1-3,19H,4H2
• InChIKey: KVIREHNULVZQCY-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	312.08
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of FNW?

The IUPAC name of FNW (CID 146425100) is [1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazol-4-yl]methanol.

What is the SMILES notation for FNW?

The canonical SMILES for FNW is OCc1cn(-c2ccc(Cl)c(C(F)(F)F)c2Cl)nn1.

What is the InChIKey of FNW?

The InChIKey is KVIREHNULVZQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2F3N3O/c11-6-1-2-7(9(12)8(6)10(13,14)15)18-3-5(4-19)16-17-18/h1-3,19H,4H2.

What are the key properties of FNW?

FNW has a molecular weight of 312.08 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for FNW is sourced from PubChem (CID 146425100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 146425100 — identifiers, structure, computed properties (public domain)

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