2-[6-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-ethylpyridine

C27H21F6NO — CID 139874423

About 2-[6-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-ethylpyridine

2-[6-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-ethylpyridine (PubChem CID 139874423) has the molecular formula C27H21F6NO and a molecular weight of 489.46 g/mol. Its IUPAC name is 2-[6-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-ethylpyridine.

Molecular Properties

• Compound Name: 2-[6-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-ethylpyridine
• PubChem CID: 139874423
• Molecular Formula: C27H21F6NO
• Molecular Weight: 489.46 g/mol
• Exact Mass: 489.15
• IUPAC Name: 2-[6-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-ethylpyridine
• SMILES: CCc1ccc(-c2ccc3c(F)c(CCc4cc(F)c(OCC(F)(F)F)c(F)c4)ccc3c2)nc1
• InChI: InChI=1S/C27H21F6NO/c1-2-16-4-10-24(34-14-16)20-8-9-21-19(13-20)7-6-18(25(21)30)5-3-17-11-22(28)26(23(29)12-17)35-15-27(31,32)33/h4,6-14H,2-3,5,15H2,1H3
• InChIKey: LDTSCSAMAKXQPE-UHFFFAOYSA-N
• XLogP: 7.61
• TPSA: 22.12 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.46
LogP ≤ 5	7.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-ethylpyridine?

The IUPAC name of 2-[6-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-ethylpyridine (CID 139874423) is 2-[6-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-ethylpyridine.

What is the SMILES notation for 2-[6-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-ethylpyridine?

The canonical SMILES for 2-[6-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-ethylpyridine is CCc1ccc(-c2ccc3c(F)c(CCc4cc(F)c(OCC(F)(F)F)c(F)c4)ccc3c2)nc1.

What is the InChIKey of 2-[6-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-ethylpyridine?

The InChIKey is LDTSCSAMAKXQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F6NO/c1-2-16-4-10-24(34-14-16)20-8-9-21-19(13-20)7-6-18(25(21)30)5-3-17-11-22(28)26(23(29)12-17)35-15-27(31,32)33/h4,6-14H,2-3,5,15H2,1H3.

What are the key properties of 2-[6-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-ethylpyridine?

2-[6-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-ethylpyridine has a molecular weight of 489.46 g/mol, XLogP of 7.61, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-ethylpyridine is sourced from PubChem (CID 139874423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).