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

C27H22F5NO — CID 139872895

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

5-ethyl-2-[5-fluoro-6-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalen-2-yl]pyridine (PubChem CID 139872895) has the molecular formula C27H22F5NO and a molecular weight of 471.47 g/mol. Its IUPAC name is 5-ethyl-2-[5-fluoro-6-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalen-2-yl]pyridine.

Molecular Properties

• Compound Name: 5-ethyl-2-[5-fluoro-6-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalen-2-yl]pyridine
• PubChem CID: 139872895
• Molecular Formula: C27H22F5NO
• Molecular Weight: 471.47 g/mol
• Exact Mass: 471.16
• IUPAC Name: 5-ethyl-2-[5-fluoro-6-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalen-2-yl]pyridine
• SMILES: CCc1ccc(-c2ccc3c(F)c(CCc4ccc(OCC(F)(F)F)c(F)c4)ccc3c2)nc1
• InChI: InChI=1S/C27H22F5NO/c1-2-17-4-11-24(33-15-17)21-9-10-22-20(14-21)8-7-19(26(22)29)6-3-18-5-12-25(23(28)13-18)34-16-27(30,31)32/h4-5,7-15H,2-3,6,16H2,1H3
• InChIKey: KJQUJFUFDPEPIR-UHFFFAOYSA-N
• XLogP: 7.47
• TPSA: 22.12 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.47
LogP ≤ 5	7.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 5-ethyl-2-[5-fluoro-6-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalen-2-yl]pyridine (CID 139872895) is 5-ethyl-2-[5-fluoro-6-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalen-2-yl]pyridine.

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

The canonical SMILES for 5-ethyl-2-[5-fluoro-6-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalen-2-yl]pyridine is CCc1ccc(-c2ccc3c(F)c(CCc4ccc(OCC(F)(F)F)c(F)c4)ccc3c2)nc1.

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

The InChIKey is KJQUJFUFDPEPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F5NO/c1-2-17-4-11-24(33-15-17)21-9-10-22-20(14-21)8-7-19(26(22)29)6-3-18-5-12-25(23(28)13-18)34-16-27(30,31)32/h4-5,7-15H,2-3,6,16H2,1H3.

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

5-ethyl-2-[5-fluoro-6-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalen-2-yl]pyridine has a molecular weight of 471.47 g/mol, XLogP of 7.47, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethyl-2-[5-fluoro-6-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalen-2-yl]pyridine is sourced from PubChem (CID 139872895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).