1-fluoro-10-(2,3,4,5,6-pentafluorophenyl)-9-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene

C27H7F13 — CID 88877549

About 1-fluoro-10-(2,3,4,5,6-pentafluorophenyl)-9-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene

1-fluoro-10-(2,3,4,5,6-pentafluorophenyl)-9-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene (PubChem CID 88877549) has the molecular formula C27H7F13 and a molecular weight of 578.33 g/mol. Its IUPAC name is 1-fluoro-10-(2,3,4,5,6-pentafluorophenyl)-9-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene.

Molecular Properties

• Compound Name: 1-fluoro-10-(2,3,4,5,6-pentafluorophenyl)-9-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene
• PubChem CID: 88877549
• Molecular Formula: C27H7F13
• Molecular Weight: 578.33 g/mol
• Exact Mass: 578.03
• IUPAC Name: 1-fluoro-10-(2,3,4,5,6-pentafluorophenyl)-9-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene
• SMILES: Fc1c(F)c(F)c(-c2c3ccccc3c(-c3c(F)c(F)c(C(F)(F)F)c(F)c3F)c3c(F)cccc23)c(F)c1F
• InChI: InChI=1S/C27H7F13/c28-11-7-3-6-10-12(15-20(31)24(35)26(37)25(36)21(15)32)8-4-1-2-5-9(8)14(13(10)11)16-18(29)22(33)17(27(38,39)40)23(34)19(16)30/h1-7H
• InChIKey: VWJXFLNQIBADCO-UHFFFAOYSA-N
• XLogP: 9.74
• TPSA: 0.00 Ų
• Rotatable Bonds: 2
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.33
LogP ≤ 5	9.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-10-(2,3,4,5,6-pentafluorophenyl)-9-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene?

The IUPAC name of 1-fluoro-10-(2,3,4,5,6-pentafluorophenyl)-9-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene (CID 88877549) is 1-fluoro-10-(2,3,4,5,6-pentafluorophenyl)-9-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene.

What is the SMILES notation for 1-fluoro-10-(2,3,4,5,6-pentafluorophenyl)-9-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene?

The canonical SMILES for 1-fluoro-10-(2,3,4,5,6-pentafluorophenyl)-9-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene is Fc1c(F)c(F)c(-c2c3ccccc3c(-c3c(F)c(F)c(C(F)(F)F)c(F)c3F)c3c(F)cccc23)c(F)c1F.

What is the InChIKey of 1-fluoro-10-(2,3,4,5,6-pentafluorophenyl)-9-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene?

The InChIKey is VWJXFLNQIBADCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H7F13/c28-11-7-3-6-10-12(15-20(31)24(35)26(37)25(36)21(15)32)8-4-1-2-5-9(8)14(13(10)11)16-18(29)22(33)17(27(38,39)40)23(34)19(16)30/h1-7H.

What are the key properties of 1-fluoro-10-(2,3,4,5,6-pentafluorophenyl)-9-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene?

1-fluoro-10-(2,3,4,5,6-pentafluorophenyl)-9-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene has a molecular weight of 578.33 g/mol, XLogP of 9.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1-fluoro-10-(2,3,4,5,6-pentafluorophenyl)-9-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene is sourced from PubChem (CID 88877549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).