BCMOKDBAQGMQLW-UHFFFAOYSA-N

C₁₄H₉F₄NO — CID 10850521

About BCMOKDBAQGMQLW-UHFFFAOYSA-N

BCMOKDBAQGMQLW-UHFFFAOYSA-N (PubChem CID 10850521) has the molecular formula C₁₄H₉F₄NO and a molecular weight of 283.22 g/mol. Its IUPAC name is 2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine.

Molecular Properties

• Compound Name: BCMOKDBAQGMQLW-UHFFFAOYSA-N
• PubChem CID: 10850521
• Molecular Formula: C₁₄H₉F₄NO
• Molecular Weight: 283.22 g/mol
• Exact Mass: 283.06
• IUPAC Name: 2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine
• SMILES: Fc1ccc(C2(C(F)(F)c3ccccn3)CO2)c(F)c1
• InChI: InChI=1S/C14H9F4NO/c15-9-4-5-10(11(16)7-9)13(8-20-13)14(17,18)12-3-1-2-6-19-12/h1-7H,8H2
• InChIKey: BCMOKDBAQGMQLW-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 25.42 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	283.22
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of BCMOKDBAQGMQLW-UHFFFAOYSA-N (CID 10850521) is 2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine.

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

The canonical SMILES for BCMOKDBAQGMQLW-UHFFFAOYSA-N is Fc1ccc(C2(C(F)(F)c3ccccn3)CO2)c(F)c1.

What is the InChIKey of BCMOKDBAQGMQLW-UHFFFAOYSA-N?

The InChIKey is BCMOKDBAQGMQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F4NO/c15-9-4-5-10(11(16)7-9)13(8-20-13)14(17,18)12-3-1-2-6-19-12/h1-7H,8H2.

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

BCMOKDBAQGMQLW-UHFFFAOYSA-N has a molecular weight of 283.22 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for BCMOKDBAQGMQLW-UHFFFAOYSA-N is sourced from PubChem (CID 10850521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 10850521 — identifiers, structure, computed properties (public domain)

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