LYDGKYJOXXUOPB-UHFFFAOYSA-N

C₉H₁₅F₂N — CID 155037749

About LYDGKYJOXXUOPB-UHFFFAOYSA-N

LYDGKYJOXXUOPB-UHFFFAOYSA-N (PubChem CID 155037749) has the molecular formula C₉H₁₅F₂N and a molecular weight of 175.22 g/mol. Its IUPAC name is 2,2-difluoro-1-methyl-4-prop-1-en-2-ylpiperidine.

Molecular Properties

• Compound Name: LYDGKYJOXXUOPB-UHFFFAOYSA-N
• PubChem CID: 155037749
• Molecular Formula: C₉H₁₅F₂N
• Molecular Weight: 175.22 g/mol
• Exact Mass: 175.12
• IUPAC Name: 2,2-difluoro-1-methyl-4-prop-1-en-2-ylpiperidine
• SMILES: C=C(C)C1CCN(C)C(F)(F)C1
• InChI: InChI=1S/C9H15F2N/c1-7(2)8-4-5-12(3)9(10,11)6-8/h8H,1,4-6H2,2-3H3
• InChIKey: LYDGKYJOXXUOPB-UHFFFAOYSA-N
• XLogP: 2.50
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	175.22
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of LYDGKYJOXXUOPB-UHFFFAOYSA-N (CID 155037749) is 2,2-difluoro-1-methyl-4-prop-1-en-2-ylpiperidine.

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

The canonical SMILES for LYDGKYJOXXUOPB-UHFFFAOYSA-N is C=C(C)C1CCN(C)C(F)(F)C1.

What is the InChIKey of LYDGKYJOXXUOPB-UHFFFAOYSA-N?

The InChIKey is LYDGKYJOXXUOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N/c1-7(2)8-4-5-12(3)9(10,11)6-8/h8H,1,4-6H2,2-3H3.

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

LYDGKYJOXXUOPB-UHFFFAOYSA-N has a molecular weight of 175.22 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for LYDGKYJOXXUOPB-UHFFFAOYSA-N is sourced from PubChem (CID 155037749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155037749 — identifiers, structure, computed properties (public domain)

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