6-(4-ethoxy-2,6-difluorophenyl)-1-fluoro-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]naphthalene

C27H19F7O — CID 139875560

About 6-(4-ethoxy-2,6-difluorophenyl)-1-fluoro-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]naphthalene

6-(4-ethoxy-2,6-difluorophenyl)-1-fluoro-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]naphthalene (PubChem CID 139875560) has the molecular formula C27H19F7O and a molecular weight of 492.43 g/mol. Its IUPAC name is 6-(4-ethoxy-2,6-difluorophenyl)-1-fluoro-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]naphthalene.

Molecular Properties

• Compound Name: 6-(4-ethoxy-2,6-difluorophenyl)-1-fluoro-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]naphthalene
• PubChem CID: 139875560
• Molecular Formula: C27H19F7O
• Molecular Weight: 492.43 g/mol
• Exact Mass: 492.13
• IUPAC Name: 6-(4-ethoxy-2,6-difluorophenyl)-1-fluoro-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]naphthalene
• SMILES: CCOc1cc(F)c(-c2ccc3c(F)c(CCc4ccc(C(F)(F)F)c(F)c4)ccc3c2)c(F)c1
• InChI: InChI=1S/C27H19F7O/c1-2-35-19-13-23(29)25(24(30)14-19)18-8-9-20-17(12-18)7-6-16(26(20)31)5-3-15-4-10-21(22(28)11-15)27(32,33)34/h4,6-14H,2-3,5H2,1H3
• InChIKey: OVYNXVPWAJBFPT-UHFFFAOYSA-N
• XLogP: 8.27
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.43
LogP ≤ 5	8.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxy-2,6-difluorophenyl)-1-fluoro-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]naphthalene?

The IUPAC name of 6-(4-ethoxy-2,6-difluorophenyl)-1-fluoro-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]naphthalene (CID 139875560) is 6-(4-ethoxy-2,6-difluorophenyl)-1-fluoro-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]naphthalene.

What is the SMILES notation for 6-(4-ethoxy-2,6-difluorophenyl)-1-fluoro-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]naphthalene?

The canonical SMILES for 6-(4-ethoxy-2,6-difluorophenyl)-1-fluoro-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]naphthalene is CCOc1cc(F)c(-c2ccc3c(F)c(CCc4ccc(C(F)(F)F)c(F)c4)ccc3c2)c(F)c1.

What is the InChIKey of 6-(4-ethoxy-2,6-difluorophenyl)-1-fluoro-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]naphthalene?

The InChIKey is OVYNXVPWAJBFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F7O/c1-2-35-19-13-23(29)25(24(30)14-19)18-8-9-20-17(12-18)7-6-16(26(20)31)5-3-15-4-10-21(22(28)11-15)27(32,33)34/h4,6-14H,2-3,5H2,1H3.

What are the key properties of 6-(4-ethoxy-2,6-difluorophenyl)-1-fluoro-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]naphthalene?

6-(4-ethoxy-2,6-difluorophenyl)-1-fluoro-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]naphthalene has a molecular weight of 492.43 g/mol, XLogP of 8.27, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-ethoxy-2,6-difluorophenyl)-1-fluoro-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]naphthalene is sourced from PubChem (CID 139875560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).