6-[2-[2,6-difluoro-4-(methoxymethyl)phenyl]ethyl]-2-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1-fluoronaphthalene

C30H24F8O2 — CID 139870686

About 6-[2-[2,6-difluoro-4-(methoxymethyl)phenyl]ethyl]-2-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1-fluoronaphthalene

6-[2-[2,6-difluoro-4-(methoxymethyl)phenyl]ethyl]-2-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1-fluoronaphthalene (PubChem CID 139870686) has the molecular formula C30H24F8O2 and a molecular weight of 568.50 g/mol. Its IUPAC name is 6-[2-[2,6-difluoro-4-(methoxymethyl)phenyl]ethyl]-2-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1-fluoronaphthalene.

Molecular Properties

• Compound Name: 6-[2-[2,6-difluoro-4-(methoxymethyl)phenyl]ethyl]-2-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1-fluoronaphthalene
• PubChem CID: 139870686
• Molecular Formula: C30H24F8O2
• Molecular Weight: 568.50 g/mol
• Exact Mass: 568.16
• IUPAC Name: 6-[2-[2,6-difluoro-4-(methoxymethyl)phenyl]ethyl]-2-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1-fluoronaphthalene
• SMILES: COCc1cc(F)c(CCc2ccc3c(F)c(CCc4cc(F)c(OCC(F)(F)F)c(F)c4)ccc3c2)c(F)c1
• InChI: InChI=1S/C30H24F8O2/c1-39-15-19-13-24(31)23(25(32)14-19)9-4-17-3-8-22-21(10-17)7-6-20(28(22)35)5-2-18-11-26(33)29(27(34)12-18)40-16-30(36,37)38/h3,6-8,10-14H,2,4-5,9,15-16H2,1H3
• InChIKey: LKZWBOGUKMLJBD-UHFFFAOYSA-N
• XLogP: 8.19
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	568.50
LogP ≤ 5	8.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 6-[2-[2,6-difluoro-4-(methoxymethyl)phenyl]ethyl]-2-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1-fluoronaphthalene?

The IUPAC name of 6-[2-[2,6-difluoro-4-(methoxymethyl)phenyl]ethyl]-2-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1-fluoronaphthalene (CID 139870686) is 6-[2-[2,6-difluoro-4-(methoxymethyl)phenyl]ethyl]-2-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1-fluoronaphthalene.

What is the SMILES notation for 6-[2-[2,6-difluoro-4-(methoxymethyl)phenyl]ethyl]-2-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1-fluoronaphthalene?

The canonical SMILES for 6-[2-[2,6-difluoro-4-(methoxymethyl)phenyl]ethyl]-2-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1-fluoronaphthalene is COCc1cc(F)c(CCc2ccc3c(F)c(CCc4cc(F)c(OCC(F)(F)F)c(F)c4)ccc3c2)c(F)c1.

What is the InChIKey of 6-[2-[2,6-difluoro-4-(methoxymethyl)phenyl]ethyl]-2-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1-fluoronaphthalene?

The InChIKey is LKZWBOGUKMLJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F8O2/c1-39-15-19-13-24(31)23(25(32)14-19)9-4-17-3-8-22-21(10-17)7-6-20(28(22)35)5-2-18-11-26(33)29(27(34)12-18)40-16-30(36,37)38/h3,6-8,10-14H,2,4-5,9,15-16H2,1H3.

What are the key properties of 6-[2-[2,6-difluoro-4-(methoxymethyl)phenyl]ethyl]-2-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1-fluoronaphthalene?

6-[2-[2,6-difluoro-4-(methoxymethyl)phenyl]ethyl]-2-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1-fluoronaphthalene has a molecular weight of 568.50 g/mol, XLogP of 8.19, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[2,6-difluoro-4-(methoxymethyl)phenyl]ethyl]-2-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1-fluoronaphthalene is sourced from PubChem (CID 139870686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).