4-(4-fluorophenyl)-4-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2,2,3-trimethyl-5-phenylpentanamide

C28H27F6NO2 — CID 151600918

About 4-(4-fluorophenyl)-4-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2,2,3-trimethyl-5-phenylpentanamide

4-(4-fluorophenyl)-4-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2,2,3-trimethyl-5-phenylpentanamide (PubChem CID 151600918) has the molecular formula C28H27F6NO2 and a molecular weight of 523.52 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-4-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2,2,3-trimethyl-5-phenylpentanamide.

Molecular Properties

• Compound Name: 4-(4-fluorophenyl)-4-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2,2,3-trimethyl-5-phenylpentanamide
• PubChem CID: 151600918
• Molecular Formula: C28H27F6NO2
• Molecular Weight: 523.52 g/mol
• Exact Mass: 523.19
• IUPAC Name: 4-(4-fluorophenyl)-4-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2,2,3-trimethyl-5-phenylpentanamide
• SMILES: CC(C(C)(C)C(N)=O)C(Cc1ccccc1)(c1ccc(F)cc1)c1cc(F)cc(OC(F)(F)C(F)F)c1
• InChI: InChI=1S/C28H27F6NO2/c1-17(26(2,3)25(35)36)27(16-18-7-5-4-6-8-18,19-9-11-21(29)12-10-19)20-13-22(30)15-23(14-20)37-28(33,34)24(31)32/h4-15,17,24H,16H2,1-3H3,(H2,35,36)
• InChIKey: QKLVJURQYQQWJP-UHFFFAOYSA-N
• XLogP: 6.88
• TPSA: 52.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.52
LogP ≤ 5	6.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-4-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2,2,3-trimethyl-5-phenylpentanamide?

The IUPAC name of 4-(4-fluorophenyl)-4-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2,2,3-trimethyl-5-phenylpentanamide (CID 151600918) is 4-(4-fluorophenyl)-4-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2,2,3-trimethyl-5-phenylpentanamide.

What is the SMILES notation for 4-(4-fluorophenyl)-4-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2,2,3-trimethyl-5-phenylpentanamide?

The canonical SMILES for 4-(4-fluorophenyl)-4-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2,2,3-trimethyl-5-phenylpentanamide is CC(C(C)(C)C(N)=O)C(Cc1ccccc1)(c1ccc(F)cc1)c1cc(F)cc(OC(F)(F)C(F)F)c1.

What is the InChIKey of 4-(4-fluorophenyl)-4-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2,2,3-trimethyl-5-phenylpentanamide?

The InChIKey is QKLVJURQYQQWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F6NO2/c1-17(26(2,3)25(35)36)27(16-18-7-5-4-6-8-18,19-9-11-21(29)12-10-19)20-13-22(30)15-23(14-20)37-28(33,34)24(31)32/h4-15,17,24H,16H2,1-3H3,(H2,35,36).

What are the key properties of 4-(4-fluorophenyl)-4-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2,2,3-trimethyl-5-phenylpentanamide?

4-(4-fluorophenyl)-4-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2,2,3-trimethyl-5-phenylpentanamide has a molecular weight of 523.52 g/mol, XLogP of 6.88, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-fluorophenyl)-4-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2,2,3-trimethyl-5-phenylpentanamide is sourced from PubChem (CID 151600918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).