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

C28H24F4O2 — CID 139871177

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

1-fluoro-6-[4-(methoxymethyl)phenyl]-2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalene (PubChem CID 139871177) has the molecular formula C28H24F4O2 and a molecular weight of 468.49 g/mol. Its IUPAC name is 1-fluoro-6-[4-(methoxymethyl)phenyl]-2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalene.

Molecular Properties

• Compound Name: 1-fluoro-6-[4-(methoxymethyl)phenyl]-2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalene
• PubChem CID: 139871177
• Molecular Formula: C28H24F4O2
• Molecular Weight: 468.49 g/mol
• Exact Mass: 468.17
• IUPAC Name: 1-fluoro-6-[4-(methoxymethyl)phenyl]-2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalene
• SMILES: COCc1ccc(-c2ccc3c(F)c(CCc4ccc(OCC(F)(F)F)cc4)ccc3c2)cc1
• InChI: InChI=1S/C28H24F4O2/c1-33-17-20-3-7-21(8-4-20)23-12-15-26-24(16-23)11-10-22(27(26)29)9-2-19-5-13-25(14-6-19)34-18-28(30,31)32/h3-8,10-16H,2,9,17-18H2,1H3
• InChIKey: LXDORFHZCGDPSQ-UHFFFAOYSA-N
• XLogP: 7.52
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.49
LogP ≤ 5	7.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 1-fluoro-6-[4-(methoxymethyl)phenyl]-2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalene (CID 139871177) is 1-fluoro-6-[4-(methoxymethyl)phenyl]-2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalene.

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

The canonical SMILES for 1-fluoro-6-[4-(methoxymethyl)phenyl]-2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalene is COCc1ccc(-c2ccc3c(F)c(CCc4ccc(OCC(F)(F)F)cc4)ccc3c2)cc1.

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

The InChIKey is LXDORFHZCGDPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F4O2/c1-33-17-20-3-7-21(8-4-20)23-12-15-26-24(16-23)11-10-22(27(26)29)9-2-19-5-13-25(14-6-19)34-18-28(30,31)32/h3-8,10-16H,2,9,17-18H2,1H3.

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

1-fluoro-6-[4-(methoxymethyl)phenyl]-2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalene has a molecular weight of 468.49 g/mol, XLogP of 7.52, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-fluoro-6-[4-(methoxymethyl)phenyl]-2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalene is sourced from PubChem (CID 139871177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).