N-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetamide

C17H25F4NO3 — CID 157247287

About N-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetamide

N-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetamide (PubChem CID 157247287) has the molecular formula C17H25F4NO3 and a molecular weight of 367.38 g/mol. Its IUPAC name is N-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetamide.

Molecular Properties

• Compound Name: N-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetamide
• PubChem CID: 157247287
• Molecular Formula: C17H25F4NO3
• Molecular Weight: 367.38 g/mol
• Exact Mass: 367.18
• IUPAC Name: N-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetamide
• SMILES: C=CCC(CC=C)(CC=C)CNC(=O)C(F)(F)OC(F)(F)COCC
• InChI: InChI=1S/C17H25F4NO3/c1-5-9-15(10-6-2,11-7-3)12-22-14(23)17(20,21)25-16(18,19)13-24-8-4/h5-7H,1-3,8-13H2,4H3,(H,22,23)
• InChIKey: XMURMVIAFVEBNG-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 47.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 14
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.38
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetamide?

The IUPAC name of N-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetamide (CID 157247287) is N-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetamide.

What is the SMILES notation for N-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetamide?

The canonical SMILES for N-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetamide is C=CCC(CC=C)(CC=C)CNC(=O)C(F)(F)OC(F)(F)COCC.

What is the InChIKey of N-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetamide?

The InChIKey is XMURMVIAFVEBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F4NO3/c1-5-9-15(10-6-2,11-7-3)12-22-14(23)17(20,21)25-16(18,19)13-24-8-4/h5-7H,1-3,8-13H2,4H3,(H,22,23).

What are the key properties of N-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetamide?

N-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetamide has a molecular weight of 367.38 g/mol, XLogP of 4.06, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2,2-bis(prop-2-enyl)pent-4-enyl]-2-(2-ethoxy-1,1-difluoroethoxy)-2,2-difluoroacetamide is sourced from PubChem (CID 157247287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).