(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)oxy-(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)oxyborane

C33BF23O2 — CID 141052278

About (2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)oxy-(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)oxyborane

(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)oxy-(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)oxyborane (PubChem CID 141052278) has the molecular formula C33BF23O2 and a molecular weight of 876.13 g/mol. Its IUPAC name is (2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)oxy-(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)oxyborane.

Molecular Properties

• Compound Name: (2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)oxy-(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)oxyborane
• PubChem CID: 141052278
• Molecular Formula: C33BF23O2
• Molecular Weight: 876.13 g/mol
• Exact Mass: 875.96
• IUPAC Name: (2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)oxy-(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)oxyborane
• SMILES: Fc1c(F)c(F)c2c(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)c4c(F)c(F)c(F)c(F)c34)c1C2(F)F
• InChI: InChI=1S/C33BF23O2/c35-10-1-2-8(33(56,57)7(1)18(43)28(53)21(10)46)32(30(55)26(51)11(2)36)59-34(9-3-4(13(38)20(45)19(9)44)14(39)23(48)22(47)12(3)37)58-31-6-5(16(41)27(52)29(31)54)15(40)24(49)25(50)17(6)42
• InChIKey: WZRIJRZTKVCSFP-UHFFFAOYSA-N
• XLogP: 10.89
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	876.13
LogP ≤ 5	10.89
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)-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)oxy-(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)oxyborane?

The IUPAC name of (2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)oxy-(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)oxyborane (CID 141052278) is (2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)oxy-(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)oxyborane.

What is the SMILES notation for (2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)oxy-(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)oxyborane?

The canonical SMILES for (2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)oxy-(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)oxyborane is Fc1c(F)c(F)c2c(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)c4c(F)c(F)c(F)c(F)c34)c1C2(F)F.

What is the InChIKey of (2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)oxy-(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)oxyborane?

The InChIKey is WZRIJRZTKVCSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33BF23O2/c35-10-1-2-8(33(56,57)7(1)18(43)28(53)21(10)46)32(30(55)26(51)11(2)36)59-34(9-3-4(13(38)20(45)19(9)44)14(39)23(48)22(47)12(3)37)58-31-6-5(16(41)27(52)29(31)54)15(40)24(49)25(50)17(6)42.

What are the key properties of (2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)oxy-(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)oxyborane?

(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)oxy-(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)oxyborane has a molecular weight of 876.13 g/mol, XLogP of 10.89, 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)-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)oxy-(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)oxyborane is sourced from PubChem (CID 141052278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).