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

C33H7BF16O2 — CID 141042448

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

(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-(4,5,6,7-tetrafluoronaphthalen-1-yl)oxy-(4,5,6-trifluoronaphthalen-1-yl)oxyborane (PubChem CID 141042448) has the molecular formula C33H7BF16O2 and a molecular weight of 750.20 g/mol. Its IUPAC name is (2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-(4,5,6,7-tetrafluoronaphthalen-1-yl)oxy-(4,5,6-trifluoronaphthalen-1-yl)oxyborane.

Molecular Properties

• Compound Name: (2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-(4,5,6,7-tetrafluoronaphthalen-1-yl)oxy-(4,5,6-trifluoronaphthalen-1-yl)oxyborane
• PubChem CID: 141042448
• Molecular Formula: C33H7BF16O2
• Molecular Weight: 750.20 g/mol
• Exact Mass: 750.03
• IUPAC Name: (2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-(4,5,6,7-tetrafluoronaphthalen-1-yl)oxy-(4,5,6-trifluoronaphthalen-1-yl)oxyborane
• SMILES: Fc1cc2c(OB(Oc3ccc(F)c4c(F)c(F)ccc34)c3c(F)c(F)c(F)c4c3C(F)(F)c3c(F)c(F)c(F)c(F)c3-4)ccc(F)c2c(F)c1F
• InChI: InChI=1S/C33H7BF16O2/c35-10-3-5-14(8-1-2-12(37)23(39)16(8)10)51-34(52-15-6-4-11(36)17-9(15)7-13(38)24(40)25(17)41)22-20-18(26(42)30(46)29(22)45)19-21(33(20,49)50)28(44)32(48)31(47)27(19)43/h1-7H
• InChIKey: IDWZPRUEYORCPS-UHFFFAOYSA-N
• XLogP: 9.91
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	750.20
LogP ≤ 5	9.91
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)-(4,5,6,7-tetrafluoronaphthalen-1-yl)oxy-(4,5,6-trifluoronaphthalen-1-yl)oxyborane?

The IUPAC name of (2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-(4,5,6,7-tetrafluoronaphthalen-1-yl)oxy-(4,5,6-trifluoronaphthalen-1-yl)oxyborane (CID 141042448) is (2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-(4,5,6,7-tetrafluoronaphthalen-1-yl)oxy-(4,5,6-trifluoronaphthalen-1-yl)oxyborane.

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

The canonical SMILES for (2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-(4,5,6,7-tetrafluoronaphthalen-1-yl)oxy-(4,5,6-trifluoronaphthalen-1-yl)oxyborane is Fc1cc2c(OB(Oc3ccc(F)c4c(F)c(F)ccc34)c3c(F)c(F)c(F)c4c3C(F)(F)c3c(F)c(F)c(F)c(F)c3-4)ccc(F)c2c(F)c1F.

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

The InChIKey is IDWZPRUEYORCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H7BF16O2/c35-10-3-5-14(8-1-2-12(37)23(39)16(8)10)51-34(52-15-6-4-11(36)17-9(15)7-13(38)24(40)25(17)41)22-20-18(26(42)30(46)29(22)45)19-21(33(20,49)50)28(44)32(48)31(47)27(19)43/h1-7H.

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

(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-(4,5,6,7-tetrafluoronaphthalen-1-yl)oxy-(4,5,6-trifluoronaphthalen-1-yl)oxyborane has a molecular weight of 750.20 g/mol, XLogP of 9.91, 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)-(4,5,6,7-tetrafluoronaphthalen-1-yl)oxy-(4,5,6-trifluoronaphthalen-1-yl)oxyborane is sourced from PubChem (CID 141042448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).