2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(3-methyl-2-pyridinyl)propanamide

C12H7F11N2O2 — CID 71672267

About 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(3-methyl-2-pyridinyl)propanamide

2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(3-methyl-2-pyridinyl)propanamide (PubChem CID 71672267) has the molecular formula C12H7F11N2O2 and a molecular weight of 420.18 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(3-methyl-2-pyridinyl)propanamide.

Molecular Properties

• Compound Name: 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(3-methyl-2-pyridinyl)propanamide
• PubChem CID: 71672267
• Molecular Formula: C12H7F11N2O2
• Molecular Weight: 420.18 g/mol
• Exact Mass: 420.03
• IUPAC Name: 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(3-methyl-2-pyridinyl)propanamide
• SMILES: Cc1cccnc1NC(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C12H7F11N2O2/c1-5-3-2-4-24-6(5)25-7(26)8(13,10(16,17)18)27-12(22,23)9(14,15)11(19,20)21/h2-4H,1H3,(H,24,25,26)
• InChIKey: VRPICMWGCVLWPM-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.18
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(3-methyl-2-pyridinyl)propanamide?

The IUPAC name of 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(3-methyl-2-pyridinyl)propanamide (CID 71672267) is 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(3-methyl-2-pyridinyl)propanamide.

What is the SMILES notation for 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(3-methyl-2-pyridinyl)propanamide?

The canonical SMILES for 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(3-methyl-2-pyridinyl)propanamide is Cc1cccnc1NC(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.

What is the InChIKey of 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(3-methyl-2-pyridinyl)propanamide?

The InChIKey is VRPICMWGCVLWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F11N2O2/c1-5-3-2-4-24-6(5)25-7(26)8(13,10(16,17)18)27-12(22,23)9(14,15)11(19,20)21/h2-4H,1H3,(H,24,25,26).

What are the key properties of 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(3-methyl-2-pyridinyl)propanamide?

2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(3-methyl-2-pyridinyl)propanamide has a molecular weight of 420.18 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(3-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 71672267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).