(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)oxy-[(2,3,4,5,6-pentafluoro-9H-fluoren-1-yl)oxy]-(2,3,4,5,6-pentafluorophenyl)borane

C29H4BF17O2 — CID 141052328

About (2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)oxy-[(2,3,4,5,6-pentafluoro-9H-fluoren-1-yl)oxy]-(2,3,4,5,6-pentafluorophenyl)borane

(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)oxy-[(2,3,4,5,6-pentafluoro-9H-fluoren-1-yl)oxy]-(2,3,4,5,6-pentafluorophenyl)borane (PubChem CID 141052328) has the molecular formula C29H4BF17O2 and a molecular weight of 718.13 g/mol. Its IUPAC name is (2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)oxy-[(2,3,4,5,6-pentafluoro-9H-fluoren-1-yl)oxy]-(2,3,4,5,6-pentafluorophenyl)borane.

Molecular Properties

• Compound Name: (2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)oxy-[(2,3,4,5,6-pentafluoro-9H-fluoren-1-yl)oxy]-(2,3,4,5,6-pentafluorophenyl)borane
• PubChem CID: 141052328
• Molecular Formula: C29H4BF17O2
• Molecular Weight: 718.13 g/mol
• Exact Mass: 718.00
• IUPAC Name: (2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)oxy-[(2,3,4,5,6-pentafluoro-9H-fluoren-1-yl)oxy]-(2,3,4,5,6-pentafluorophenyl)borane
• SMILES: Fc1ccc2c(c1F)-c1c(F)c(F)c(F)c(OB(Oc3c(F)c(F)c(F)c4c(F)c(F)c(F)c(F)c34)c3c(F)c(F)c(F)c(F)c3F)c1C2
• InChI: InChI=1S/C29H4BF17O2/c31-6-2-1-4-3-5-8(7(4)12(6)32)13(33)21(41)26(46)28(5)48-30(11-17(37)23(43)25(45)24(44)18(11)38)49-29-10-9(15(35)22(42)27(29)47)14(34)19(39)20(40)16(10)36/h1-2H,3H2
• InChIKey: LIARJVDTVXFXPU-UHFFFAOYSA-N
• XLogP: 8.63
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	718.13
LogP ≤ 5	8.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)oxy-[(2,3,4,5,6-pentafluoro-9H-fluoren-1-yl)oxy]-(2,3,4,5,6-pentafluorophenyl)borane?

The IUPAC name of (2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)oxy-[(2,3,4,5,6-pentafluoro-9H-fluoren-1-yl)oxy]-(2,3,4,5,6-pentafluorophenyl)borane (CID 141052328) is (2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)oxy-[(2,3,4,5,6-pentafluoro-9H-fluoren-1-yl)oxy]-(2,3,4,5,6-pentafluorophenyl)borane.

What is the SMILES notation for (2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)oxy-[(2,3,4,5,6-pentafluoro-9H-fluoren-1-yl)oxy]-(2,3,4,5,6-pentafluorophenyl)borane?

The canonical SMILES for (2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)oxy-[(2,3,4,5,6-pentafluoro-9H-fluoren-1-yl)oxy]-(2,3,4,5,6-pentafluorophenyl)borane is Fc1ccc2c(c1F)-c1c(F)c(F)c(F)c(OB(Oc3c(F)c(F)c(F)c4c(F)c(F)c(F)c(F)c34)c3c(F)c(F)c(F)c(F)c3F)c1C2.

What is the InChIKey of (2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)oxy-[(2,3,4,5,6-pentafluoro-9H-fluoren-1-yl)oxy]-(2,3,4,5,6-pentafluorophenyl)borane?

The InChIKey is LIARJVDTVXFXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H4BF17O2/c31-6-2-1-4-3-5-8(7(4)12(6)32)13(33)21(41)26(46)28(5)48-30(11-17(37)23(43)25(45)24(44)18(11)38)49-29-10-9(15(35)22(42)27(29)47)14(34)19(39)20(40)16(10)36/h1-2H,3H2.

What are the key properties of (2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)oxy-[(2,3,4,5,6-pentafluoro-9H-fluoren-1-yl)oxy]-(2,3,4,5,6-pentafluorophenyl)borane?

(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)oxy-[(2,3,4,5,6-pentafluoro-9H-fluoren-1-yl)oxy]-(2,3,4,5,6-pentafluorophenyl)borane has a molecular weight of 718.13 g/mol, XLogP of 8.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)oxy-[(2,3,4,5,6-pentafluoro-9H-fluoren-1-yl)oxy]-(2,3,4,5,6-pentafluorophenyl)borane is sourced from PubChem (CID 141052328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).