(2S)-2,3,3,3-tetrafluoro-2-[(2R)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(1,2,4-triazol-4-yl)propanamide

C11H3F17N4O3 — CID 163144474

About (2S)-2,3,3,3-tetrafluoro-2-[(2R)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(1,2,4-triazol-4-yl)propanamide

(2S)-2,3,3,3-tetrafluoro-2-[(2R)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(1,2,4-triazol-4-yl)propanamide (PubChem CID 163144474) has the molecular formula C11H3F17N4O3 and a molecular weight of 562.14 g/mol. Its IUPAC name is (2S)-2,3,3,3-tetrafluoro-2-[(2R)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(1,2,4-triazol-4-yl)propanamide.

Molecular Properties

• Compound Name: (2S)-2,3,3,3-tetrafluoro-2-[(2R)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(1,2,4-triazol-4-yl)propanamide
• PubChem CID: 163144474
• Molecular Formula: C11H3F17N4O3
• Molecular Weight: 562.14 g/mol
• Exact Mass: 561.99
• IUPAC Name: (2S)-2,3,3,3-tetrafluoro-2-[(2R)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(1,2,4-triazol-4-yl)propanamide
• SMILES: O=C(Nn1cnnc1)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C11H3F17N4O3/c12-4(7(16,17)18,3(33)31-32-1-29-30-2-32)34-11(27,28)6(15,9(22,23)24)35-10(25,26)5(13,14)8(19,20)21/h1-2H,(H,31,33)/t4-,6-/m1/s1
• InChIKey: LAAHWGHCSUMQHD-INEUFUBQSA-N
• XLogP: 4.22
• TPSA: 78.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	562.14
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-2,3,3,3-tetrafluoro-2-[(2R)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(1,2,4-triazol-4-yl)propanamide?

The IUPAC name of (2S)-2,3,3,3-tetrafluoro-2-[(2R)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(1,2,4-triazol-4-yl)propanamide (CID 163144474) is (2S)-2,3,3,3-tetrafluoro-2-[(2R)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(1,2,4-triazol-4-yl)propanamide.

What is the SMILES notation for (2S)-2,3,3,3-tetrafluoro-2-[(2R)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(1,2,4-triazol-4-yl)propanamide?

The canonical SMILES for (2S)-2,3,3,3-tetrafluoro-2-[(2R)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(1,2,4-triazol-4-yl)propanamide is O=C(Nn1cnnc1)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F.

What is the InChIKey of (2S)-2,3,3,3-tetrafluoro-2-[(2R)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(1,2,4-triazol-4-yl)propanamide?

The InChIKey is LAAHWGHCSUMQHD-INEUFUBQSA-N. The full InChI is InChI=1S/C11H3F17N4O3/c12-4(7(16,17)18,3(33)31-32-1-29-30-2-32)34-11(27,28)6(15,9(22,23)24)35-10(25,26)5(13,14)8(19,20)21/h1-2H,(H,31,33)/t4-,6-/m1/s1.

What are the key properties of (2S)-2,3,3,3-tetrafluoro-2-[(2R)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(1,2,4-triazol-4-yl)propanamide?

(2S)-2,3,3,3-tetrafluoro-2-[(2R)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(1,2,4-triazol-4-yl)propanamide has a molecular weight of 562.14 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2,3,3,3-tetrafluoro-2-[(2R)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(1,2,4-triazol-4-yl)propanamide is sourced from PubChem (CID 163144474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).