2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-[2-[2-fluoro-4-(methoxymethyl)phenyl]ethyl]naphthalene

C29H26F4O2 — CID 139871216

About 2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-[2-[2-fluoro-4-(methoxymethyl)phenyl]ethyl]naphthalene

2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-[2-[2-fluoro-4-(methoxymethyl)phenyl]ethyl]naphthalene (PubChem CID 139871216) has the molecular formula C29H26F4O2 and a molecular weight of 482.52 g/mol. Its IUPAC name is 2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-[2-[2-fluoro-4-(methoxymethyl)phenyl]ethyl]naphthalene.

Molecular Properties

• Compound Name: 2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-[2-[2-fluoro-4-(methoxymethyl)phenyl]ethyl]naphthalene
• PubChem CID: 139871216
• Molecular Formula: C29H26F4O2
• Molecular Weight: 482.52 g/mol
• Exact Mass: 482.19
• IUPAC Name: 2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-[2-[2-fluoro-4-(methoxymethyl)phenyl]ethyl]naphthalene
• SMILES: COCc1ccc(CCc2ccc3c(F)c(CCc4ccc(OC(F)F)cc4)ccc3c2)c(F)c1
• InChI: InChI=1S/C29H26F4O2/c1-34-18-21-4-9-22(27(30)17-21)8-3-20-7-15-26-24(16-20)12-11-23(28(26)31)10-2-19-5-13-25(14-6-19)35-29(32)33/h4-7,9,11-17,29H,2-3,8,10,18H2,1H3
• InChIKey: APXQDPIUBJLGPE-UHFFFAOYSA-N
• XLogP: 7.44
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.52
LogP ≤ 5	7.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-[2-[2-fluoro-4-(methoxymethyl)phenyl]ethyl]naphthalene?

The IUPAC name of 2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-[2-[2-fluoro-4-(methoxymethyl)phenyl]ethyl]naphthalene (CID 139871216) is 2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-[2-[2-fluoro-4-(methoxymethyl)phenyl]ethyl]naphthalene.

What is the SMILES notation for 2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-[2-[2-fluoro-4-(methoxymethyl)phenyl]ethyl]naphthalene?

The canonical SMILES for 2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-[2-[2-fluoro-4-(methoxymethyl)phenyl]ethyl]naphthalene is COCc1ccc(CCc2ccc3c(F)c(CCc4ccc(OC(F)F)cc4)ccc3c2)c(F)c1.

What is the InChIKey of 2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-[2-[2-fluoro-4-(methoxymethyl)phenyl]ethyl]naphthalene?

The InChIKey is APXQDPIUBJLGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F4O2/c1-34-18-21-4-9-22(27(30)17-21)8-3-20-7-15-26-24(16-20)12-11-23(28(26)31)10-2-19-5-13-25(14-6-19)35-29(32)33/h4-7,9,11-17,29H,2-3,8,10,18H2,1H3.

What are the key properties of 2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-[2-[2-fluoro-4-(methoxymethyl)phenyl]ethyl]naphthalene?

2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-[2-[2-fluoro-4-(methoxymethyl)phenyl]ethyl]naphthalene has a molecular weight of 482.52 g/mol, XLogP of 7.44, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-[2-[2-fluoro-4-(methoxymethyl)phenyl]ethyl]naphthalene is sourced from PubChem (CID 139871216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).