cyclohexyl-bis(2,3,4,5,6-pentafluorophenyl)borane

C18H11BF10 — CID 23065717

IUPACcyclohexyl-bis(2,3,4,5,6-pentafluorophenyl)borane
SMILESFc1c(F)c(F)c(B(c2c(F)c(F)c(F)c(F)c2F)C2CCCCC2)c(F)c1F
InChIInChI=1S/C18H11BF10/c20-9-7(10(21)14(25)17(28)13(9)24)19(6-4-2-1-3-5-6)8-11(22)15(26)18(29)16(27)12(8)23/h6H,1-5H2
InChIKeyKXAHXFKYNJKZSV-UHFFFAOYSA-N
MW428.08 g/mol
LogP5.02
Rot. Bonds3

About cyclohexyl-bis(2,3,4,5,6-pentafluorophenyl)borane

cyclohexyl-bis(2,3,4,5,6-pentafluorophenyl)borane (PubChem CID 23065717) has the molecular formula C18H11BF10 and a molecular weight of 428.08 g/mol. Its IUPAC name is cyclohexyl-bis(2,3,4,5,6-pentafluorophenyl)borane.

Molecular Properties

Compound Namecyclohexyl-bis(2,3,4,5,6-pentafluorophenyl)borane
PubChem CID23065717
Molecular FormulaC18H11BF10
Molecular Weight428.08 g/mol
Exact Mass428.08
IUPAC Namecyclohexyl-bis(2,3,4,5,6-pentafluorophenyl)borane
SMILESFc1c(F)c(F)c(B(c2c(F)c(F)c(F)c(F)c2F)C2CCCCC2)c(F)c1F
InChIInChI=1S/C18H11BF10/c20-9-7(10(21)14(25)17(28)13(9)24)19(6-4-2-1-3-5-6)8-11(22)15(26)18(29)16(27)12(8)23/h6H,1-5H2
InChIKeyKXAHXFKYNJKZSV-UHFFFAOYSA-N
XLogP5.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.08
LogP ≤ 55.02
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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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-bis(2,3,4,5,6-pentafluorophenyl)borane?
The IUPAC name of cyclohexyl-bis(2,3,4,5,6-pentafluorophenyl)borane (CID 23065717) is cyclohexyl-bis(2,3,4,5,6-pentafluorophenyl)borane.
What is the SMILES notation for cyclohexyl-bis(2,3,4,5,6-pentafluorophenyl)borane?
The canonical SMILES for cyclohexyl-bis(2,3,4,5,6-pentafluorophenyl)borane is Fc1c(F)c(F)c(B(c2c(F)c(F)c(F)c(F)c2F)C2CCCCC2)c(F)c1F.
What is the InChIKey of cyclohexyl-bis(2,3,4,5,6-pentafluorophenyl)borane?
The InChIKey is KXAHXFKYNJKZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BF10/c20-9-7(10(21)14(25)17(28)13(9)24)19(6-4-2-1-3-5-6)8-11(22)15(26)18(29)16(27)12(8)23/h6H,1-5H2.
What are the key properties of cyclohexyl-bis(2,3,4,5,6-pentafluorophenyl)borane?
cyclohexyl-bis(2,3,4,5,6-pentafluorophenyl)borane has a molecular weight of 428.08 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-bis(2,3,4,5,6-pentafluorophenyl)borane is sourced from PubChem (CID 23065717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).