6-[2,6-difluoro-4-(2-methoxyethyl)phenyl]-1-fluoro-2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalene

C29H24F6O2 — CID 139875685

About 6-[2,6-difluoro-4-(2-methoxyethyl)phenyl]-1-fluoro-2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalene

6-[2,6-difluoro-4-(2-methoxyethyl)phenyl]-1-fluoro-2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalene (PubChem CID 139875685) has the molecular formula C29H24F6O2 and a molecular weight of 518.50 g/mol. Its IUPAC name is 6-[2,6-difluoro-4-(2-methoxyethyl)phenyl]-1-fluoro-2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalene.

Molecular Properties

• Compound Name: 6-[2,6-difluoro-4-(2-methoxyethyl)phenyl]-1-fluoro-2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalene
• PubChem CID: 139875685
• Molecular Formula: C29H24F6O2
• Molecular Weight: 518.50 g/mol
• Exact Mass: 518.17
• IUPAC Name: 6-[2,6-difluoro-4-(2-methoxyethyl)phenyl]-1-fluoro-2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalene
• SMILES: COCCc1cc(F)c(-c2ccc3c(F)c(CCc4ccc(OCC(F)(F)F)cc4)ccc3c2)c(F)c1
• InChI: InChI=1S/C29H24F6O2/c1-36-13-12-19-14-25(30)27(26(31)15-19)22-8-11-24-21(16-22)7-6-20(28(24)32)5-2-18-3-9-23(10-4-18)37-17-29(33,34)35/h3-4,6-11,14-16H,2,5,12-13,17H2,1H3
• InChIKey: UVFYMINBXBOQIK-UHFFFAOYSA-N
• XLogP: 7.84
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.50
LogP ≤ 5	7.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 6-[2,6-difluoro-4-(2-methoxyethyl)phenyl]-1-fluoro-2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalene?

The IUPAC name of 6-[2,6-difluoro-4-(2-methoxyethyl)phenyl]-1-fluoro-2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalene (CID 139875685) is 6-[2,6-difluoro-4-(2-methoxyethyl)phenyl]-1-fluoro-2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalene.

What is the SMILES notation for 6-[2,6-difluoro-4-(2-methoxyethyl)phenyl]-1-fluoro-2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalene?

The canonical SMILES for 6-[2,6-difluoro-4-(2-methoxyethyl)phenyl]-1-fluoro-2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalene is COCCc1cc(F)c(-c2ccc3c(F)c(CCc4ccc(OCC(F)(F)F)cc4)ccc3c2)c(F)c1.

What is the InChIKey of 6-[2,6-difluoro-4-(2-methoxyethyl)phenyl]-1-fluoro-2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalene?

The InChIKey is UVFYMINBXBOQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F6O2/c1-36-13-12-19-14-25(30)27(26(31)15-19)22-8-11-24-21(16-22)7-6-20(28(24)32)5-2-18-3-9-23(10-4-18)37-17-29(33,34)35/h3-4,6-11,14-16H,2,5,12-13,17H2,1H3.

What are the key properties of 6-[2,6-difluoro-4-(2-methoxyethyl)phenyl]-1-fluoro-2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalene?

6-[2,6-difluoro-4-(2-methoxyethyl)phenyl]-1-fluoro-2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalene has a molecular weight of 518.50 g/mol, XLogP of 7.84, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2,6-difluoro-4-(2-methoxyethyl)phenyl]-1-fluoro-2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalene is sourced from PubChem (CID 139875685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).