2,3,3,3-tetrafluoro-N,N-bis(prop-2-ynyl)-2-(2,3,3,3-tetrafluoropropoxy)propanamide

C₁₂H₉F₈NO₂ — CID 157036926

About 2,3,3,3-tetrafluoro-N,N-bis(prop-2-ynyl)-2-(2,3,3,3-tetrafluoropropoxy)propanamide

2,3,3,3-tetrafluoro-N,N-bis(prop-2-ynyl)-2-(2,3,3,3-tetrafluoropropoxy)propanamide (PubChem CID 157036926) has the molecular formula C₁₂H₉F₈NO₂ and a molecular weight of 351.19 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-N,N-bis(prop-2-ynyl)-2-(2,3,3,3-tetrafluoropropoxy)propanamide.

Molecular Properties

• Compound Name: 2,3,3,3-tetrafluoro-N,N-bis(prop-2-ynyl)-2-(2,3,3,3-tetrafluoropropoxy)propanamide
• PubChem CID: 157036926
• Molecular Formula: C₁₂H₉F₈NO₂
• Molecular Weight: 351.19 g/mol
• Exact Mass: 351.05
• IUPAC Name: 2,3,3,3-tetrafluoro-N,N-bis(prop-2-ynyl)-2-(2,3,3,3-tetrafluoropropoxy)propanamide
• SMILES: C#CCN(CC#C)C(=O)C(F)(OCC(F)C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C12H9F8NO2/c1-3-5-21(6-4-2)9(22)10(14,12(18,19)20)23-7-8(13)11(15,16)17/h1-2,8H,5-7H2
• InChIKey: BUSNUNBJWQTPQP-UHFFFAOYSA-N
• XLogP: 2.23
• TPSA: 29.54 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.19
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,3,3,3-tetrafluoro-N,N-bis(prop-2-ynyl)-2-(2,3,3,3-tetrafluoropropoxy)propanamide?

The IUPAC name of 2,3,3,3-tetrafluoro-N,N-bis(prop-2-ynyl)-2-(2,3,3,3-tetrafluoropropoxy)propanamide (CID 157036926) is 2,3,3,3-tetrafluoro-N,N-bis(prop-2-ynyl)-2-(2,3,3,3-tetrafluoropropoxy)propanamide.

What is the SMILES notation for 2,3,3,3-tetrafluoro-N,N-bis(prop-2-ynyl)-2-(2,3,3,3-tetrafluoropropoxy)propanamide?

The canonical SMILES for 2,3,3,3-tetrafluoro-N,N-bis(prop-2-ynyl)-2-(2,3,3,3-tetrafluoropropoxy)propanamide is C#CCN(CC#C)C(=O)C(F)(OCC(F)C(F)(F)F)C(F)(F)F.

What is the InChIKey of 2,3,3,3-tetrafluoro-N,N-bis(prop-2-ynyl)-2-(2,3,3,3-tetrafluoropropoxy)propanamide?

The InChIKey is BUSNUNBJWQTPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F8NO2/c1-3-5-21(6-4-2)9(22)10(14,12(18,19)20)23-7-8(13)11(15,16)17/h1-2,8H,5-7H2.

What are the key properties of 2,3,3,3-tetrafluoro-N,N-bis(prop-2-ynyl)-2-(2,3,3,3-tetrafluoropropoxy)propanamide?

2,3,3,3-tetrafluoro-N,N-bis(prop-2-ynyl)-2-(2,3,3,3-tetrafluoropropoxy)propanamide has a molecular weight of 351.19 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3,3,3-tetrafluoro-N,N-bis(prop-2-ynyl)-2-(2,3,3,3-tetrafluoropropoxy)propanamide is sourced from PubChem (CID 157036926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157036926 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.