(2S)-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,N-di(propan-2-yl)propanamide

C15H14F17NO3 — CID 162807478

About (2S)-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,N-di(propan-2-yl)propanamide

(2S)-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,N-di(propan-2-yl)propanamide (PubChem CID 162807478) has the molecular formula C15H14F17NO3 and a molecular weight of 579.25 g/mol. Its IUPAC name is (2S)-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,N-di(propan-2-yl)propanamide.

Molecular Properties

• Compound Name: (2S)-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,N-di(propan-2-yl)propanamide
• PubChem CID: 162807478
• Molecular Formula: C15H14F17NO3
• Molecular Weight: 579.25 g/mol
• Exact Mass: 579.07
• IUPAC Name: (2S)-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,N-di(propan-2-yl)propanamide
• SMILES: CC(C)N(C(=O)[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)C(C)C
• InChI: InChI=1S/C15H14F17NO3/c1-5(2)33(6(3)4)7(34)8(16,11(20,21)22)35-15(31,32)10(19,13(26,27)28)36-14(29,30)9(17,18)12(23,24)25/h5-6H,1-4H3/t8-,10+/m1/s1
• InChIKey: JBEXECVIKBJVPZ-SCZZXKLOSA-N
• XLogP: 6.50
• TPSA: 38.77 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	579.25
LogP ≤ 5	6.50
H-Bond Donors ≤ 5	0
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 (2S)-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,N-di(propan-2-yl)propanamide?

The IUPAC name of (2S)-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,N-di(propan-2-yl)propanamide (CID 162807478) is (2S)-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,N-di(propan-2-yl)propanamide.

What is the SMILES notation for (2S)-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,N-di(propan-2-yl)propanamide?

The canonical SMILES for (2S)-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,N-di(propan-2-yl)propanamide is CC(C)N(C(=O)[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)C(C)C.

What is the InChIKey of (2S)-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,N-di(propan-2-yl)propanamide?

The InChIKey is JBEXECVIKBJVPZ-SCZZXKLOSA-N. The full InChI is InChI=1S/C15H14F17NO3/c1-5(2)33(6(3)4)7(34)8(16,11(20,21)22)35-15(31,32)10(19,13(26,27)28)36-14(29,30)9(17,18)12(23,24)25/h5-6H,1-4H3/t8-,10+/m1/s1.

What are the key properties of (2S)-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,N-di(propan-2-yl)propanamide?

(2S)-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,N-di(propan-2-yl)propanamide has a molecular weight of 579.25 g/mol, XLogP of 6.50, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-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,N-di(propan-2-yl)propanamide is sourced from PubChem (CID 162807478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).