(2R)-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-(3-methylphenyl)propanamide

C16H8F17NO3 — CID 95239983

About (2R)-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-(3-methylphenyl)propanamide

(2R)-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-(3-methylphenyl)propanamide (PubChem CID 95239983) has the molecular formula C16H8F17NO3 and a molecular weight of 585.21 g/mol. Its IUPAC name is (2R)-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-(3-methylphenyl)propanamide.

Molecular Properties

• Compound Name: (2R)-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-(3-methylphenyl)propanamide
• PubChem CID: 95239983
• Molecular Formula: C16H8F17NO3
• Molecular Weight: 585.21 g/mol
• Exact Mass: 585.02
• IUPAC Name: (2R)-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-(3-methylphenyl)propanamide
• SMILES: Cc1cccc(NC(=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)c1
• InChI: InChI=1S/C16H8F17NO3/c1-6-3-2-4-7(5-6)34-8(35)9(17,12(21,22)23)36-16(32,33)11(20,14(27,28)29)37-15(30,31)10(18,19)13(24,25)26/h2-5H,1H3,(H,34,35)/t9-,11+/m0/s1
• InChIKey: ALUPYVAKNUAKRF-GXSJLCMTSA-N
• XLogP: 6.81
• TPSA: 47.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	585.21
LogP ≤ 5	6.81
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 (2R)-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-(3-methylphenyl)propanamide?

The IUPAC name of (2R)-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-(3-methylphenyl)propanamide (CID 95239983) is (2R)-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-(3-methylphenyl)propanamide.

What is the SMILES notation for (2R)-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-(3-methylphenyl)propanamide?

The canonical SMILES for (2R)-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-(3-methylphenyl)propanamide is Cc1cccc(NC(=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)c1.

What is the InChIKey of (2R)-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-(3-methylphenyl)propanamide?

The InChIKey is ALUPYVAKNUAKRF-GXSJLCMTSA-N. The full InChI is InChI=1S/C16H8F17NO3/c1-6-3-2-4-7(5-6)34-8(35)9(17,12(21,22)23)36-16(32,33)11(20,14(27,28)29)37-15(30,31)10(18,19)13(24,25)26/h2-5H,1H3,(H,34,35)/t9-,11+/m0/s1.

What are the key properties of (2R)-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-(3-methylphenyl)propanamide?

(2R)-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-(3-methylphenyl)propanamide has a molecular weight of 585.21 g/mol, XLogP of 6.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-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-(3-methylphenyl)propanamide is sourced from PubChem (CID 95239983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).