6-[1,3-difluoro-6-(1-fluoro-6-methylnaphthalen-2-yl)naphthalen-2-yl]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene

C34H15F9 — CID 138468735

About 6-[1,3-difluoro-6-(1-fluoro-6-methylnaphthalen-2-yl)naphthalen-2-yl]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene

6-[1,3-difluoro-6-(1-fluoro-6-methylnaphthalen-2-yl)naphthalen-2-yl]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene (PubChem CID 138468735) has the molecular formula C34H15F9 and a molecular weight of 594.48 g/mol. Its IUPAC name is 6-[1,3-difluoro-6-(1-fluoro-6-methylnaphthalen-2-yl)naphthalen-2-yl]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene.

Molecular Properties

• Compound Name: 6-[1,3-difluoro-6-(1-fluoro-6-methylnaphthalen-2-yl)naphthalen-2-yl]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene
• PubChem CID: 138468735
• Molecular Formula: C34H15F9
• Molecular Weight: 594.48 g/mol
• Exact Mass: 594.10
• IUPAC Name: 6-[1,3-difluoro-6-(1-fluoro-6-methylnaphthalen-2-yl)naphthalen-2-yl]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene
• SMILES: Cc1ccc2c(F)c(-c3ccc4c(F)c(-c5cc(F)c6c(F)c(C#CC(F)(F)F)c(F)cc6c5)c(F)cc4c3)ccc2c1
• InChI: InChI=1S/C34H15F9/c1-16-2-5-22-17(10-16)3-6-23(31(22)38)18-4-7-24-19(11-18)13-27(36)29(32(24)39)21-12-20-14-26(35)25(8-9-34(41,42)43)33(40)30(20)28(37)15-21/h2-7,10-15H,1H3
• InChIKey: DLBIFCFGKGGQFO-UHFFFAOYSA-N
• XLogP: 10.54
• TPSA: 0.00 Ų
• Rotatable Bonds: 2
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	594.48
LogP ≤ 5	10.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[1,3-difluoro-6-(1-fluoro-6-methylnaphthalen-2-yl)naphthalen-2-yl]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene?

The IUPAC name of 6-[1,3-difluoro-6-(1-fluoro-6-methylnaphthalen-2-yl)naphthalen-2-yl]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene (CID 138468735) is 6-[1,3-difluoro-6-(1-fluoro-6-methylnaphthalen-2-yl)naphthalen-2-yl]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene.

What is the SMILES notation for 6-[1,3-difluoro-6-(1-fluoro-6-methylnaphthalen-2-yl)naphthalen-2-yl]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene?

The canonical SMILES for 6-[1,3-difluoro-6-(1-fluoro-6-methylnaphthalen-2-yl)naphthalen-2-yl]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene is Cc1ccc2c(F)c(-c3ccc4c(F)c(-c5cc(F)c6c(F)c(C#CC(F)(F)F)c(F)cc6c5)c(F)cc4c3)ccc2c1.

What is the InChIKey of 6-[1,3-difluoro-6-(1-fluoro-6-methylnaphthalen-2-yl)naphthalen-2-yl]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene?

The InChIKey is DLBIFCFGKGGQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H15F9/c1-16-2-5-22-17(10-16)3-6-23(31(22)38)18-4-7-24-19(11-18)13-27(36)29(32(24)39)21-12-20-14-26(35)25(8-9-34(41,42)43)33(40)30(20)28(37)15-21/h2-7,10-15H,1H3.

What are the key properties of 6-[1,3-difluoro-6-(1-fluoro-6-methylnaphthalen-2-yl)naphthalen-2-yl]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene?

6-[1,3-difluoro-6-(1-fluoro-6-methylnaphthalen-2-yl)naphthalen-2-yl]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene has a molecular weight of 594.48 g/mol, XLogP of 10.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1,3-difluoro-6-(1-fluoro-6-methylnaphthalen-2-yl)naphthalen-2-yl]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene is sourced from PubChem (CID 138468735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).