(2R)-2,3,3,3-tetrafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-pyridin-3-ylpropanamide

C14H5F17N2O3 — CID 163045506

About (2R)-2,3,3,3-tetrafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-pyridin-3-ylpropanamide

(2R)-2,3,3,3-tetrafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-pyridin-3-ylpropanamide (PubChem CID 163045506) has the molecular formula C14H5F17N2O3 and a molecular weight of 572.17 g/mol. Its IUPAC name is (2R)-2,3,3,3-tetrafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-pyridin-3-ylpropanamide.

Molecular Properties

• Compound Name: (2R)-2,3,3,3-tetrafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-pyridin-3-ylpropanamide
• PubChem CID: 163045506
• Molecular Formula: C14H5F17N2O3
• Molecular Weight: 572.17 g/mol
• Exact Mass: 572.00
• IUPAC Name: (2R)-2,3,3,3-tetrafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-pyridin-3-ylpropanamide
• SMILES: O=C(Nc1cccnc1)[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/C14H5F17N2O3/c15-7(10(19,20)21,6(34)33-5-2-1-3-32-4-5)35-14(30,31)9(18,12(25,26)27)36-13(28,29)8(16,17)11(22,23)24/h1-4H,(H,33,34)/t7-,9-/m0/s1
• InChIKey: NJQMVAGTWMQZRM-CBAPKCEASA-N
• XLogP: 5.89
• TPSA: 60.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	572.17
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-2,3,3,3-tetrafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-pyridin-3-ylpropanamide?

The IUPAC name of (2R)-2,3,3,3-tetrafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-pyridin-3-ylpropanamide (CID 163045506) is (2R)-2,3,3,3-tetrafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-pyridin-3-ylpropanamide.

What is the SMILES notation for (2R)-2,3,3,3-tetrafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-pyridin-3-ylpropanamide?

The canonical SMILES for (2R)-2,3,3,3-tetrafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-pyridin-3-ylpropanamide is O=C(Nc1cccnc1)[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 (2R)-2,3,3,3-tetrafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-pyridin-3-ylpropanamide?

The InChIKey is NJQMVAGTWMQZRM-CBAPKCEASA-N. The full InChI is InChI=1S/C14H5F17N2O3/c15-7(10(19,20)21,6(34)33-5-2-1-3-32-4-5)35-14(30,31)9(18,12(25,26)27)36-13(28,29)8(16,17)11(22,23)24/h1-4H,(H,33,34)/t7-,9-/m0/s1.

What are the key properties of (2R)-2,3,3,3-tetrafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-pyridin-3-ylpropanamide?

(2R)-2,3,3,3-tetrafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-pyridin-3-ylpropanamide has a molecular weight of 572.17 g/mol, XLogP of 5.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2,3,3,3-tetrafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-pyridin-3-ylpropanamide is sourced from PubChem (CID 163045506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).