6-[2-[4-(2,3-difluoro-4-propylphenyl)phenoxy]-1,1-difluoroethoxy]-1,2,3-trifluoronaphthalene

C27H19F7O2 — CID 118858748

About 6-[2-[4-(2,3-difluoro-4-propylphenyl)phenoxy]-1,1-difluoroethoxy]-1,2,3-trifluoronaphthalene

6-[2-[4-(2,3-difluoro-4-propylphenyl)phenoxy]-1,1-difluoroethoxy]-1,2,3-trifluoronaphthalene (PubChem CID 118858748) has the molecular formula C27H19F7O2 and a molecular weight of 508.43 g/mol. Its IUPAC name is 6-[2-[4-(2,3-difluoro-4-propylphenyl)phenoxy]-1,1-difluoroethoxy]-1,2,3-trifluoronaphthalene.

Molecular Properties

• Compound Name: 6-[2-[4-(2,3-difluoro-4-propylphenyl)phenoxy]-1,1-difluoroethoxy]-1,2,3-trifluoronaphthalene
• PubChem CID: 118858748
• Molecular Formula: C27H19F7O2
• Molecular Weight: 508.43 g/mol
• Exact Mass: 508.13
• IUPAC Name: 6-[2-[4-(2,3-difluoro-4-propylphenyl)phenoxy]-1,1-difluoroethoxy]-1,2,3-trifluoronaphthalene
• SMILES: CCCc1ccc(-c2ccc(OCC(F)(F)Oc3ccc4c(F)c(F)c(F)cc4c3)cc2)c(F)c1F
• InChI: InChI=1S/C27H19F7O2/c1-2-3-16-6-10-20(24(30)23(16)29)15-4-7-18(8-5-15)35-14-27(33,34)36-19-9-11-21-17(12-19)13-22(28)26(32)25(21)31/h4-13H,2-3,14H2,1H3
• InChIKey: UGNMFYQRYRHFRR-UHFFFAOYSA-N
• XLogP: 8.21
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.43
LogP ≤ 5	8.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(2,3-difluoro-4-propylphenyl)phenoxy]-1,1-difluoroethoxy]-1,2,3-trifluoronaphthalene?

The IUPAC name of 6-[2-[4-(2,3-difluoro-4-propylphenyl)phenoxy]-1,1-difluoroethoxy]-1,2,3-trifluoronaphthalene (CID 118858748) is 6-[2-[4-(2,3-difluoro-4-propylphenyl)phenoxy]-1,1-difluoroethoxy]-1,2,3-trifluoronaphthalene.

What is the SMILES notation for 6-[2-[4-(2,3-difluoro-4-propylphenyl)phenoxy]-1,1-difluoroethoxy]-1,2,3-trifluoronaphthalene?

The canonical SMILES for 6-[2-[4-(2,3-difluoro-4-propylphenyl)phenoxy]-1,1-difluoroethoxy]-1,2,3-trifluoronaphthalene is CCCc1ccc(-c2ccc(OCC(F)(F)Oc3ccc4c(F)c(F)c(F)cc4c3)cc2)c(F)c1F.

What is the InChIKey of 6-[2-[4-(2,3-difluoro-4-propylphenyl)phenoxy]-1,1-difluoroethoxy]-1,2,3-trifluoronaphthalene?

The InChIKey is UGNMFYQRYRHFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F7O2/c1-2-3-16-6-10-20(24(30)23(16)29)15-4-7-18(8-5-15)35-14-27(33,34)36-19-9-11-21-17(12-19)13-22(28)26(32)25(21)31/h4-13H,2-3,14H2,1H3.

What are the key properties of 6-[2-[4-(2,3-difluoro-4-propylphenyl)phenoxy]-1,1-difluoroethoxy]-1,2,3-trifluoronaphthalene?

6-[2-[4-(2,3-difluoro-4-propylphenyl)phenoxy]-1,1-difluoroethoxy]-1,2,3-trifluoronaphthalene has a molecular weight of 508.43 g/mol, XLogP of 8.21, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[4-(2,3-difluoro-4-propylphenyl)phenoxy]-1,1-difluoroethoxy]-1,2,3-trifluoronaphthalene is sourced from PubChem (CID 118858748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).