[2-bis(2,3,4,5,6-pentafluorophenyl)boranyl-3,4-difluorophenyl]-(2,3,4,5,6-pentafluorophenyl)-(2,3,4-trifluorophenyl)borane

C30H4B2F20 — CID 101442216

IUPAC[2-bis(2,3,4,5,6-pentafluorophenyl)boranyl-3,4-difluorophenyl]-(2,3,4,5,6-pentafluorophenyl)-(2,3,4-trifluorophenyl)borane
SMILESFc1ccc(B(c2ccc(F)c(F)c2B(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C30H4B2F20/c33-7-3-1-5(31(6-2-4-8(34)15(37)13(6)35)10-16(38)22(44)28(50)23(45)17(10)39)9(14(7)36)32(11-18(40)24(46)29(51)25(47)19(11)41)12-20(42)26(48)30(52)27(49)21(12)43/h1-4H
InChIKeyFENVAMCJZVIFNM-UHFFFAOYSA-N
MW765.95 g/mol
LogP5.50
Rot. Bonds6

About [2-bis(2,3,4,5,6-pentafluorophenyl)boranyl-3,4-difluorophenyl]-(2,3,4,5,6-pentafluorophenyl)-(2,3,4-trifluorophenyl)borane

[2-bis(2,3,4,5,6-pentafluorophenyl)boranyl-3,4-difluorophenyl]-(2,3,4,5,6-pentafluorophenyl)-(2,3,4-trifluorophenyl)borane (PubChem CID 101442216) has the molecular formula C30H4B2F20 and a molecular weight of 765.95 g/mol. Its IUPAC name is [2-bis(2,3,4,5,6-pentafluorophenyl)boranyl-3,4-difluorophenyl]-(2,3,4,5,6-pentafluorophenyl)-(2,3,4-trifluorophenyl)borane.

Molecular Properties

Compound Name[2-bis(2,3,4,5,6-pentafluorophenyl)boranyl-3,4-difluorophenyl]-(2,3,4,5,6-pentafluorophenyl)-(2,3,4-trifluorophenyl)borane
PubChem CID101442216
Molecular FormulaC30H4B2F20
Molecular Weight765.95 g/mol
Exact Mass766.02
IUPAC Name[2-bis(2,3,4,5,6-pentafluorophenyl)boranyl-3,4-difluorophenyl]-(2,3,4,5,6-pentafluorophenyl)-(2,3,4-trifluorophenyl)borane
SMILESFc1ccc(B(c2ccc(F)c(F)c2B(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C30H4B2F20/c33-7-3-1-5(31(6-2-4-8(34)15(37)13(6)35)10-16(38)22(44)28(50)23(45)17(10)39)9(14(7)36)32(11-18(40)24(46)29(51)25(47)19(11)41)12-20(42)26(48)30(52)27(49)21(12)43/h1-4H
InChIKeyFENVAMCJZVIFNM-UHFFFAOYSA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.95
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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'}

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Related Compounds

[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-bis(2,3,6-trifluorophenyl)borane
CID 164532168
[fluorooxy-(2,3,4-trifluorophenyl)boranyl] hypofluorite
CID 53402040
tris[2,3,4,6-tetrafluoro-5-(2,3,4,6-tetrafluorophenyl)phenyl]borane
CID 22500998
bis(2,3,4,5,6-pentafluorophenyl)-phenylborane
CID 11327649
CID 87257465
CID 87257465
methylperoxy-(2,3,4-trifluorophenyl)borinic acid
CID 141191380
bis(2,3,4,5,6,7,8,9,10-nonafluoroanthracen-1-yl)-(2,3,4,5,6-pentafluorophenyl)borane
CID 22456526
N-chloro-2,3,6-trifluoroaniline
CID 174856597
1-azabicyclo[2.2.2]octane;tris(2,3,4,5,6-pentafluorophenyl)borane
CID 87993239
(3,4-difluoro-2-methoxyphenyl)-methoxyborinic acid
CID 145222116
(3,4-difluorophenyl)-bis(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)borane
CID 141052357
CID 70149047
CID 70149047

Frequently Asked Questions

What is the IUPAC name of [2-bis(2,3,4,5,6-pentafluorophenyl)boranyl-3,4-difluorophenyl]-(2,3,4,5,6-pentafluorophenyl)-(2,3,4-trifluorophenyl)borane?
The IUPAC name of [2-bis(2,3,4,5,6-pentafluorophenyl)boranyl-3,4-difluorophenyl]-(2,3,4,5,6-pentafluorophenyl)-(2,3,4-trifluorophenyl)borane (CID 101442216) is [2-bis(2,3,4,5,6-pentafluorophenyl)boranyl-3,4-difluorophenyl]-(2,3,4,5,6-pentafluorophenyl)-(2,3,4-trifluorophenyl)borane.
What is the SMILES notation for [2-bis(2,3,4,5,6-pentafluorophenyl)boranyl-3,4-difluorophenyl]-(2,3,4,5,6-pentafluorophenyl)-(2,3,4-trifluorophenyl)borane?
The canonical SMILES for [2-bis(2,3,4,5,6-pentafluorophenyl)boranyl-3,4-difluorophenyl]-(2,3,4,5,6-pentafluorophenyl)-(2,3,4-trifluorophenyl)borane is Fc1ccc(B(c2ccc(F)c(F)c2B(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.
What is the InChIKey of [2-bis(2,3,4,5,6-pentafluorophenyl)boranyl-3,4-difluorophenyl]-(2,3,4,5,6-pentafluorophenyl)-(2,3,4-trifluorophenyl)borane?
The InChIKey is FENVAMCJZVIFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H4B2F20/c33-7-3-1-5(31(6-2-4-8(34)15(37)13(6)35)10-16(38)22(44)28(50)23(45)17(10)39)9(14(7)36)32(11-18(40)24(46)29(51)25(47)19(11)41)12-20(42)26(48)30(52)27(49)21(12)43/h1-4H.
What are the key properties of [2-bis(2,3,4,5,6-pentafluorophenyl)boranyl-3,4-difluorophenyl]-(2,3,4,5,6-pentafluorophenyl)-(2,3,4-trifluorophenyl)borane?
[2-bis(2,3,4,5,6-pentafluorophenyl)boranyl-3,4-difluorophenyl]-(2,3,4,5,6-pentafluorophenyl)-(2,3,4-trifluorophenyl)borane has a molecular weight of 765.95 g/mol, XLogP of 5.50, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bis(2,3,4,5,6-pentafluorophenyl)boranyl-3,4-difluorophenyl]-(2,3,4,5,6-pentafluorophenyl)-(2,3,4-trifluorophenyl)borane is sourced from PubChem (CID 101442216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).