N-(4,4-difluorocyclohexyl)-5-methoxy-4-oxopyran-2-carboxamide

C₁₃H₁₅F₂NO₄ — CID 154740010

About N-(4,4-difluorocyclohexyl)-5-methoxy-4-oxopyran-2-carboxamide

N-(4,4-difluorocyclohexyl)-5-methoxy-4-oxopyran-2-carboxamide (PubChem CID 154740010) has the molecular formula C₁₃H₁₅F₂NO₄ and a molecular weight of 287.26 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-5-methoxy-4-oxopyran-2-carboxamide.

Molecular Properties

• Compound Name: N-(4,4-difluorocyclohexyl)-5-methoxy-4-oxopyran-2-carboxamide
• PubChem CID: 154740010
• Molecular Formula: C₁₃H₁₅F₂NO₄
• Molecular Weight: 287.26 g/mol
• Exact Mass: 287.10
• IUPAC Name: N-(4,4-difluorocyclohexyl)-5-methoxy-4-oxopyran-2-carboxamide
• SMILES: COc1coc(C(=O)NC2CCC(F)(F)CC2)cc1=O
• InChI: InChI=1S/C13H15F2NO4/c1-19-11-7-20-10(6-9(11)17)12(18)16-8-2-4-13(14,15)5-3-8/h6-8H,2-5H2,1H3,(H,16,18)
• InChIKey: LHTRDBHDFLYUOM-UHFFFAOYSA-N
• XLogP: 1.96
• TPSA: 68.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	287.26
LogP ≤ 5	1.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-5-methoxy-4-oxopyran-2-carboxamide?

The IUPAC name of N-(4,4-difluorocyclohexyl)-5-methoxy-4-oxopyran-2-carboxamide (CID 154740010) is N-(4,4-difluorocyclohexyl)-5-methoxy-4-oxopyran-2-carboxamide.

What is the SMILES notation for N-(4,4-difluorocyclohexyl)-5-methoxy-4-oxopyran-2-carboxamide?

The canonical SMILES for N-(4,4-difluorocyclohexyl)-5-methoxy-4-oxopyran-2-carboxamide is COc1coc(C(=O)NC2CCC(F)(F)CC2)cc1=O.

What is the InChIKey of N-(4,4-difluorocyclohexyl)-5-methoxy-4-oxopyran-2-carboxamide?

The InChIKey is LHTRDBHDFLYUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO4/c1-19-11-7-20-10(6-9(11)17)12(18)16-8-2-4-13(14,15)5-3-8/h6-8H,2-5H2,1H3,(H,16,18).

What are the key properties of N-(4,4-difluorocyclohexyl)-5-methoxy-4-oxopyran-2-carboxamide?

N-(4,4-difluorocyclohexyl)-5-methoxy-4-oxopyran-2-carboxamide has a molecular weight of 287.26 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4,4-difluorocyclohexyl)-5-methoxy-4-oxopyran-2-carboxamide is sourced from PubChem (CID 154740010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154740010 — identifiers, structure, computed properties (public domain)

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