(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenoxy]-[2-(2,3,5-trifluorophenyl)phenoxy]borane

C37H6BF21O2 — CID 141042438

About (2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenoxy]-[2-(2,3,5-trifluorophenyl)phenoxy]borane

(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenoxy]-[2-(2,3,5-trifluorophenyl)phenoxy]borane (PubChem CID 141042438) has the molecular formula C37H6BF21O2 and a molecular weight of 892.22 g/mol. Its IUPAC name is (2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenoxy]-[2-(2,3,5-trifluorophenyl)phenoxy]borane.

Molecular Properties

• Compound Name: (2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenoxy]-[2-(2,3,5-trifluorophenyl)phenoxy]borane
• PubChem CID: 141042438
• Molecular Formula: C37H6BF21O2
• Molecular Weight: 892.22 g/mol
• Exact Mass: 892.01
• IUPAC Name: (2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenoxy]-[2-(2,3,5-trifluorophenyl)phenoxy]borane
• SMILES: Fc1cc(F)c(F)c(-c2ccccc2OB(Oc2c(F)c(F)c(F)c(F)c2-c2c(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)c1
• InChI: InChI=1S/C37H6BF21O2/c39-7-5-9(19(41)10(40)6-7)8-3-1-2-4-11(8)60-38(61-36-15(24(46)31(53)34(56)35(36)57)14-22(44)29(51)33(55)30(52)23(14)45)18-16-12(20(42)27(49)26(18)48)13-17(37(16,58)59)25(47)32(54)28(50)21(13)43/h1-6H
• InChIKey: RBMLKLIWQAPSCT-UHFFFAOYSA-N
• XLogP: 11.64
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	892.22
LogP ≤ 5	11.64
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-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenoxy]-[2-(2,3,5-trifluorophenyl)phenoxy]borane?

The IUPAC name of (2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenoxy]-[2-(2,3,5-trifluorophenyl)phenoxy]borane (CID 141042438) is (2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenoxy]-[2-(2,3,5-trifluorophenyl)phenoxy]borane.

What is the SMILES notation for (2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenoxy]-[2-(2,3,5-trifluorophenyl)phenoxy]borane?

The canonical SMILES for (2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenoxy]-[2-(2,3,5-trifluorophenyl)phenoxy]borane is Fc1cc(F)c(F)c(-c2ccccc2OB(Oc2c(F)c(F)c(F)c(F)c2-c2c(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)c1.

What is the InChIKey of (2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenoxy]-[2-(2,3,5-trifluorophenyl)phenoxy]borane?

The InChIKey is RBMLKLIWQAPSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H6BF21O2/c39-7-5-9(19(41)10(40)6-7)8-3-1-2-4-11(8)60-38(61-36-15(24(46)31(53)34(56)35(36)57)14-22(44)29(51)33(55)30(52)23(14)45)18-16-12(20(42)27(49)26(18)48)13-17(37(16,58)59)25(47)32(54)28(50)21(13)43/h1-6H.

What are the key properties of (2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenoxy]-[2-(2,3,5-trifluorophenyl)phenoxy]borane?

(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenoxy]-[2-(2,3,5-trifluorophenyl)phenoxy]borane has a molecular weight of 892.22 g/mol, XLogP of 11.64, 7 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-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenoxy]-[2-(2,3,5-trifluorophenyl)phenoxy]borane is sourced from PubChem (CID 141042438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).