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

C14H5BF10 — CID 15520534

IUPACethyl-bis(2,3,4,5,6-pentafluorophenyl)borane
SMILESCCB(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H5BF10/c1-2-15(3-5(16)9(20)13(24)10(21)6(3)17)4-7(18)11(22)14(25)12(23)8(4)19/h2H2,1H3
InChIKeyBHNKGZWATQUXEP-UHFFFAOYSA-N
MW373.99 g/mol
LogP3.71
Rot. Bonds3

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

ethyl-bis(2,3,4,5,6-pentafluorophenyl)borane (PubChem CID 15520534) has the molecular formula C14H5BF10 and a molecular weight of 373.99 g/mol. Its IUPAC name is ethyl-bis(2,3,4,5,6-pentafluorophenyl)borane.

Molecular Properties

Compound Nameethyl-bis(2,3,4,5,6-pentafluorophenyl)borane
PubChem CID15520534
Molecular FormulaC14H5BF10
Molecular Weight373.99 g/mol
Exact Mass374.03
IUPAC Nameethyl-bis(2,3,4,5,6-pentafluorophenyl)borane
SMILESCCB(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H5BF10/c1-2-15(3-5(16)9(20)13(24)10(21)6(3)17)4-7(18)11(22)14(25)12(23)8(4)19/h2H2,1H3
InChIKeyBHNKGZWATQUXEP-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.99
LogP ≤ 53.71
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 ethyl-bis(2,3,4,5,6-pentafluorophenyl)borane?
The IUPAC name of ethyl-bis(2,3,4,5,6-pentafluorophenyl)borane (CID 15520534) is ethyl-bis(2,3,4,5,6-pentafluorophenyl)borane.
What is the SMILES notation for ethyl-bis(2,3,4,5,6-pentafluorophenyl)borane?
The canonical SMILES for ethyl-bis(2,3,4,5,6-pentafluorophenyl)borane is CCB(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of ethyl-bis(2,3,4,5,6-pentafluorophenyl)borane?
The InChIKey is BHNKGZWATQUXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H5BF10/c1-2-15(3-5(16)9(20)13(24)10(21)6(3)17)4-7(18)11(22)14(25)12(23)8(4)19/h2H2,1H3.
What are the key properties of ethyl-bis(2,3,4,5,6-pentafluorophenyl)borane?
ethyl-bis(2,3,4,5,6-pentafluorophenyl)borane has a molecular weight of 373.99 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-bis(2,3,4,5,6-pentafluorophenyl)borane is sourced from PubChem (CID 15520534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).