SFDHXEFSYVOGMY-UHFFFAOYSA-N

C₁₈H₂₃F₂N₃O₂ — CID 66928021

About SFDHXEFSYVOGMY-UHFFFAOYSA-N

SFDHXEFSYVOGMY-UHFFFAOYSA-N (PubChem CID 66928021) has the molecular formula C₁₈H₂₃F₂N₃O₂ and a molecular weight of 351.40 g/mol. Its IUPAC name is (2-methylphenyl)methyl N-[1-(5,5-difluorohexyl)pyrazol-3-yl]carbamate.

Molecular Properties

• Compound Name: SFDHXEFSYVOGMY-UHFFFAOYSA-N
• PubChem CID: 66928021
• Molecular Formula: C₁₈H₂₃F₂N₃O₂
• Molecular Weight: 351.40 g/mol
• Exact Mass: 351.18
• IUPAC Name: (2-methylphenyl)methyl N-[1-(5,5-difluorohexyl)pyrazol-3-yl]carbamate
• SMILES: Cc1ccccc1COC(=O)Nc1ccn(CCCCC(C)(F)F)n1
• InChI: InChI=1S/C18H23F2N3O2/c1-14-7-3-4-8-15(14)13-25-17(24)21-16-9-12-23(22-16)11-6-5-10-18(2,19)20/h3-4,7-9,12H,5-6,10-11,13H2,1-2H3,(H,21,22,24)
• InChIKey: SFDHXEFSYVOGMY-UHFFFAOYSA-N
• XLogP: 4.77
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.40
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of SFDHXEFSYVOGMY-UHFFFAOYSA-N (CID 66928021) is (2-methylphenyl)methyl N-[1-(5,5-difluorohexyl)pyrazol-3-yl]carbamate.

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

The canonical SMILES for SFDHXEFSYVOGMY-UHFFFAOYSA-N is Cc1ccccc1COC(=O)Nc1ccn(CCCCC(C)(F)F)n1.

What is the InChIKey of SFDHXEFSYVOGMY-UHFFFAOYSA-N?

The InChIKey is SFDHXEFSYVOGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3O2/c1-14-7-3-4-8-15(14)13-25-17(24)21-16-9-12-23(22-16)11-6-5-10-18(2,19)20/h3-4,7-9,12H,5-6,10-11,13H2,1-2H3,(H,21,22,24).

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

SFDHXEFSYVOGMY-UHFFFAOYSA-N has a molecular weight of 351.40 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for SFDHXEFSYVOGMY-UHFFFAOYSA-N is sourced from PubChem (CID 66928021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 66928021 — identifiers, structure, computed properties (public domain)

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