5-butoxy-2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]naphthalen-2-yl]pyridine

C28H24F5NO — CID 139872384

About 5-butoxy-2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]naphthalen-2-yl]pyridine

5-butoxy-2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]naphthalen-2-yl]pyridine (PubChem CID 139872384) has the molecular formula C28H24F5NO and a molecular weight of 485.50 g/mol. Its IUPAC name is 5-butoxy-2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]naphthalen-2-yl]pyridine.

Molecular Properties

• Compound Name: 5-butoxy-2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]naphthalen-2-yl]pyridine
• PubChem CID: 139872384
• Molecular Formula: C28H24F5NO
• Molecular Weight: 485.50 g/mol
• Exact Mass: 485.18
• IUPAC Name: 5-butoxy-2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]naphthalen-2-yl]pyridine
• SMILES: CCCCOc1ccc(-c2ccc3c(F)c(CCc4ccc(C(F)(F)F)c(F)c4)ccc3c2)nc1
• InChI: InChI=1S/C28H24F5NO/c1-2-3-14-35-22-10-13-26(34-17-22)21-9-11-23-20(16-21)8-7-19(27(23)30)6-4-18-5-12-24(25(29)15-18)28(31,32)33/h5,7-13,15-17H,2-4,6,14H2,1H3
• InChIKey: JCHXMEVALMBEKZ-UHFFFAOYSA-N
• XLogP: 8.16
• TPSA: 22.12 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.50
LogP ≤ 5	8.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-butoxy-2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]naphthalen-2-yl]pyridine?

The IUPAC name of 5-butoxy-2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]naphthalen-2-yl]pyridine (CID 139872384) is 5-butoxy-2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]naphthalen-2-yl]pyridine.

What is the SMILES notation for 5-butoxy-2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]naphthalen-2-yl]pyridine?

The canonical SMILES for 5-butoxy-2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]naphthalen-2-yl]pyridine is CCCCOc1ccc(-c2ccc3c(F)c(CCc4ccc(C(F)(F)F)c(F)c4)ccc3c2)nc1.

What is the InChIKey of 5-butoxy-2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]naphthalen-2-yl]pyridine?

The InChIKey is JCHXMEVALMBEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F5NO/c1-2-3-14-35-22-10-13-26(34-17-22)21-9-11-23-20(16-21)8-7-19(27(23)30)6-4-18-5-12-24(25(29)15-18)28(31,32)33/h5,7-13,15-17H,2-4,6,14H2,1H3.

What are the key properties of 5-butoxy-2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]naphthalen-2-yl]pyridine?

5-butoxy-2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]naphthalen-2-yl]pyridine has a molecular weight of 485.50 g/mol, XLogP of 8.16, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-butoxy-2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]naphthalen-2-yl]pyridine is sourced from PubChem (CID 139872384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).