(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-(2,3,4,5,6-pentafluorophenoxy)-[(2,3,4,5-tetrafluoro-1H-inden-1-yl)oxy]borane

C28H3BF18O2 — CID 141052376

About (2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-(2,3,4,5,6-pentafluorophenoxy)-[(2,3,4,5-tetrafluoro-1H-inden-1-yl)oxy]borane

(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-(2,3,4,5,6-pentafluorophenoxy)-[(2,3,4,5-tetrafluoro-1H-inden-1-yl)oxy]borane (PubChem CID 141052376) has the molecular formula C28H3BF18O2 and a molecular weight of 724.11 g/mol. Its IUPAC name is (2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-(2,3,4,5,6-pentafluorophenoxy)-[(2,3,4,5-tetrafluoro-1H-inden-1-yl)oxy]borane.

Molecular Properties

• Compound Name: (2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-(2,3,4,5,6-pentafluorophenoxy)-[(2,3,4,5-tetrafluoro-1H-inden-1-yl)oxy]borane
• PubChem CID: 141052376
• Molecular Formula: C28H3BF18O2
• Molecular Weight: 724.11 g/mol
• Exact Mass: 723.99
• IUPAC Name: (2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-(2,3,4,5,6-pentafluorophenoxy)-[(2,3,4,5-tetrafluoro-1H-inden-1-yl)oxy]borane
• SMILES: FC1=C(F)C(OB(Oc2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c3c2C(F)(F)c2c(F)c(F)c(F)c(F)c2-3)c2ccc(F)c(F)c21
• InChI: InChI=1S/C28H3BF18O2/c30-4-2-1-3-5(11(4)31)12(32)23(43)26(3)48-29(49-27-24(44)21(41)20(40)22(42)25(27)45)10-8-6(13(33)17(37)16(10)36)7-9(28(8,46)47)15(35)19(39)18(38)14(7)34/h1-2,26H
• InChIKey: VFLKIZXUULCFDX-UHFFFAOYSA-N
• XLogP: 8.91
• 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	724.11
LogP ≤ 5	8.91
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 (2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-(2,3,4,5,6-pentafluorophenoxy)-[(2,3,4,5-tetrafluoro-1H-inden-1-yl)oxy]borane?

The IUPAC name of (2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-(2,3,4,5,6-pentafluorophenoxy)-[(2,3,4,5-tetrafluoro-1H-inden-1-yl)oxy]borane (CID 141052376) is (2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-(2,3,4,5,6-pentafluorophenoxy)-[(2,3,4,5-tetrafluoro-1H-inden-1-yl)oxy]borane.

What is the SMILES notation for (2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-(2,3,4,5,6-pentafluorophenoxy)-[(2,3,4,5-tetrafluoro-1H-inden-1-yl)oxy]borane?

The canonical SMILES for (2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-(2,3,4,5,6-pentafluorophenoxy)-[(2,3,4,5-tetrafluoro-1H-inden-1-yl)oxy]borane is FC1=C(F)C(OB(Oc2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c3c2C(F)(F)c2c(F)c(F)c(F)c(F)c2-3)c2ccc(F)c(F)c21.

What is the InChIKey of (2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-(2,3,4,5,6-pentafluorophenoxy)-[(2,3,4,5-tetrafluoro-1H-inden-1-yl)oxy]borane?

The InChIKey is VFLKIZXUULCFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H3BF18O2/c30-4-2-1-3-5(11(4)31)12(32)23(43)26(3)48-29(49-27-24(44)21(41)20(40)22(42)25(27)45)10-8-6(13(33)17(37)16(10)36)7-9(28(8,46)47)15(35)19(39)18(38)14(7)34/h1-2,26H.

What are the key properties of (2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-(2,3,4,5,6-pentafluorophenoxy)-[(2,3,4,5-tetrafluoro-1H-inden-1-yl)oxy]borane?

(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-(2,3,4,5,6-pentafluorophenoxy)-[(2,3,4,5-tetrafluoro-1H-inden-1-yl)oxy]borane has a molecular weight of 724.11 g/mol, XLogP of 8.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-(2,3,4,5,6-pentafluorophenoxy)-[(2,3,4,5-tetrafluoro-1H-inden-1-yl)oxy]borane is sourced from PubChem (CID 141052376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).