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

C27H6F14 — CID 87428335

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

9-(2,4-difluorophenyl)-1,2,3,4,5-pentafluoro-10-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene (PubChem CID 87428335) has the molecular formula C27H6F14 and a molecular weight of 596.32 g/mol. Its IUPAC name is 9-(2,4-difluorophenyl)-1,2,3,4,5-pentafluoro-10-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene.

Molecular Properties

• Compound Name: 9-(2,4-difluorophenyl)-1,2,3,4,5-pentafluoro-10-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene
• PubChem CID: 87428335
• Molecular Formula: C27H6F14
• Molecular Weight: 596.32 g/mol
• Exact Mass: 596.02
• IUPAC Name: 9-(2,4-difluorophenyl)-1,2,3,4,5-pentafluoro-10-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene
• SMILES: Fc1ccc(-c2c3cccc(F)c3c(-c3c(F)c(F)c(C(F)(F)F)c(F)c3F)c3c(F)c(F)c(F)c(F)c23)c(F)c1
• InChI: InChI=1S/C27H6F14/c28-7-4-5-8(11(30)6-7)12-9-2-1-3-10(29)13(9)14(16-15(12)19(31)25(37)26(38)20(16)32)17-21(33)23(35)18(27(39,40)41)24(36)22(17)34/h1-6H
• InChIKey: OIWIYCBPPCHRLI-UHFFFAOYSA-N
• XLogP: 9.88
• TPSA: 0.00 Ų
• Rotatable Bonds: 2
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	596.32
LogP ≤ 5	9.88
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 9-(2,4-difluorophenyl)-1,2,3,4,5-pentafluoro-10-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene?

The IUPAC name of 9-(2,4-difluorophenyl)-1,2,3,4,5-pentafluoro-10-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene (CID 87428335) is 9-(2,4-difluorophenyl)-1,2,3,4,5-pentafluoro-10-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene.

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

The canonical SMILES for 9-(2,4-difluorophenyl)-1,2,3,4,5-pentafluoro-10-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene is Fc1ccc(-c2c3cccc(F)c3c(-c3c(F)c(F)c(C(F)(F)F)c(F)c3F)c3c(F)c(F)c(F)c(F)c23)c(F)c1.

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

The InChIKey is OIWIYCBPPCHRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H6F14/c28-7-4-5-8(11(30)6-7)12-9-2-1-3-10(29)13(9)14(16-15(12)19(31)25(37)26(38)20(16)32)17-21(33)23(35)18(27(39,40)41)24(36)22(17)34/h1-6H.

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

9-(2,4-difluorophenyl)-1,2,3,4,5-pentafluoro-10-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene has a molecular weight of 596.32 g/mol, XLogP of 9.88, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(2,4-difluorophenyl)-1,2,3,4,5-pentafluoro-10-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene is sourced from PubChem (CID 87428335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).