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

C29H26F5NO2 — CID 139871801

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

2-[2-[5-fluoro-6-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalen-2-yl]ethyl]-5-(methoxymethyl)pyridine (PubChem CID 139871801) has the molecular formula C29H26F5NO2 and a molecular weight of 515.52 g/mol. Its IUPAC name is 2-[2-[5-fluoro-6-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalen-2-yl]ethyl]-5-(methoxymethyl)pyridine.

Molecular Properties

• Compound Name: 2-[2-[5-fluoro-6-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalen-2-yl]ethyl]-5-(methoxymethyl)pyridine
• PubChem CID: 139871801
• Molecular Formula: C29H26F5NO2
• Molecular Weight: 515.52 g/mol
• Exact Mass: 515.19
• IUPAC Name: 2-[2-[5-fluoro-6-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalen-2-yl]ethyl]-5-(methoxymethyl)pyridine
• SMILES: COCc1ccc(CCc2ccc3c(F)c(CCc4ccc(OCC(F)(F)F)c(F)c4)ccc3c2)nc1
• InChI: InChI=1S/C29H26F5NO2/c1-36-17-21-4-11-24(35-16-21)10-3-19-5-12-25-23(14-19)9-8-22(28(25)31)7-2-20-6-13-27(26(30)15-20)37-18-29(32,33)34/h4-6,8-9,11-16H,2-3,7,10,17-18H2,1H3
• InChIKey: DRCHUYKPDNHNPX-UHFFFAOYSA-N
• XLogP: 7.17
• TPSA: 31.35 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.52
LogP ≤ 5	7.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2-[2-[5-fluoro-6-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalen-2-yl]ethyl]-5-(methoxymethyl)pyridine (CID 139871801) is 2-[2-[5-fluoro-6-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalen-2-yl]ethyl]-5-(methoxymethyl)pyridine.

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

The canonical SMILES for 2-[2-[5-fluoro-6-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalen-2-yl]ethyl]-5-(methoxymethyl)pyridine is COCc1ccc(CCc2ccc3c(F)c(CCc4ccc(OCC(F)(F)F)c(F)c4)ccc3c2)nc1.

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

The InChIKey is DRCHUYKPDNHNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F5NO2/c1-36-17-21-4-11-24(35-16-21)10-3-19-5-12-25-23(14-19)9-8-22(28(25)31)7-2-20-6-13-27(26(30)15-20)37-18-29(32,33)34/h4-6,8-9,11-16H,2-3,7,10,17-18H2,1H3.

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

2-[2-[5-fluoro-6-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalen-2-yl]ethyl]-5-(methoxymethyl)pyridine has a molecular weight of 515.52 g/mol, XLogP of 7.17, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[5-fluoro-6-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalen-2-yl]ethyl]-5-(methoxymethyl)pyridine is sourced from PubChem (CID 139871801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).