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

C28H25F4NO — CID 139873614

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

2-[2-[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalen-2-yl]ethyl]-5-(methoxymethyl)pyridine (PubChem CID 139873614) has the molecular formula C28H25F4NO and a molecular weight of 467.51 g/mol. Its IUPAC name is 2-[2-[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalen-2-yl]ethyl]-5-(methoxymethyl)pyridine.

Molecular Properties

• Compound Name: 2-[2-[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalen-2-yl]ethyl]-5-(methoxymethyl)pyridine
• PubChem CID: 139873614
• Molecular Formula: C28H25F4NO
• Molecular Weight: 467.51 g/mol
• Exact Mass: 467.19
• IUPAC Name: 2-[2-[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalen-2-yl]ethyl]-5-(methoxymethyl)pyridine
• SMILES: COCc1ccc(CCc2ccc3c(F)c(CCc4ccc(C(F)(F)F)cc4)ccc3c2)nc1
• InChI: InChI=1S/C28H25F4NO/c1-34-18-21-6-14-25(33-17-21)13-5-20-7-15-26-23(16-20)10-9-22(27(26)29)8-2-19-3-11-24(12-4-19)28(30,31)32/h3-4,6-7,9-12,14-17H,2,5,8,13,18H2,1H3
• InChIKey: JCVBWZXYJGXJPJ-UHFFFAOYSA-N
• XLogP: 7.11
• TPSA: 22.12 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.51
LogP ≤ 5	7.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 2-[2-[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalen-2-yl]ethyl]-5-(methoxymethyl)pyridine (CID 139873614) is 2-[2-[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalen-2-yl]ethyl]-5-(methoxymethyl)pyridine.

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

The canonical SMILES for 2-[2-[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalen-2-yl]ethyl]-5-(methoxymethyl)pyridine is COCc1ccc(CCc2ccc3c(F)c(CCc4ccc(C(F)(F)F)cc4)ccc3c2)nc1.

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

The InChIKey is JCVBWZXYJGXJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F4NO/c1-34-18-21-6-14-25(33-17-21)13-5-20-7-15-26-23(16-20)10-9-22(27(26)29)8-2-19-3-11-24(12-4-19)28(30,31)32/h3-4,6-7,9-12,14-17H,2,5,8,13,18H2,1H3.

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

2-[2-[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalen-2-yl]ethyl]-5-(methoxymethyl)pyridine has a molecular weight of 467.51 g/mol, XLogP of 7.11, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalen-2-yl]ethyl]-5-(methoxymethyl)pyridine is sourced from PubChem (CID 139873614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).