[(E)-hex-1-enyl]-bis(2,3,4,5,6-pentafluorophenyl)borane

C18H11BF10 — CID 100930315

IUPAC[(E)-hex-1-enyl]-bis(2,3,4,5,6-pentafluorophenyl)borane
SMILESCCCC/C=C/B(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C18H11BF10/c1-2-3-4-5-6-19(7-9(20)13(24)17(28)14(25)10(7)21)8-11(22)15(26)18(29)16(27)12(8)23/h5-6H,2-4H2,1H3/b6-5+
InChIKeyJJLNCLBKQTYOSV-AATRIKPKSA-N
MW428.08 g/mol
LogP4.97
Rot. Bonds6

About [(E)-hex-1-enyl]-bis(2,3,4,5,6-pentafluorophenyl)borane

[(E)-hex-1-enyl]-bis(2,3,4,5,6-pentafluorophenyl)borane (PubChem CID 100930315) has the molecular formula C18H11BF10 and a molecular weight of 428.08 g/mol. Its IUPAC name is [(E)-hex-1-enyl]-bis(2,3,4,5,6-pentafluorophenyl)borane.

Molecular Properties

Compound Name[(E)-hex-1-enyl]-bis(2,3,4,5,6-pentafluorophenyl)borane
PubChem CID100930315
Molecular FormulaC18H11BF10
Molecular Weight428.08 g/mol
Exact Mass428.08
IUPAC Name[(E)-hex-1-enyl]-bis(2,3,4,5,6-pentafluorophenyl)borane
SMILESCCCC/C=C/B(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C18H11BF10/c1-2-3-4-5-6-19(7-9(20)13(24)17(28)14(25)10(7)21)8-11(22)15(26)18(29)16(27)12(8)23/h5-6H,2-4H2,1H3/b6-5+
InChIKeyJJLNCLBKQTYOSV-AATRIKPKSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.08
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [(E)-hex-1-enyl]-bis(2,3,4,5,6-pentafluorophenyl)borane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(E)-hex-1-enyl]-bis(2,3,4,5,6-pentafluorophenyl)borane?
The IUPAC name of [(E)-hex-1-enyl]-bis(2,3,4,5,6-pentafluorophenyl)borane (CID 100930315) is [(E)-hex-1-enyl]-bis(2,3,4,5,6-pentafluorophenyl)borane.
What is the SMILES notation for [(E)-hex-1-enyl]-bis(2,3,4,5,6-pentafluorophenyl)borane?
The canonical SMILES for [(E)-hex-1-enyl]-bis(2,3,4,5,6-pentafluorophenyl)borane is CCCC/C=C/B(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of [(E)-hex-1-enyl]-bis(2,3,4,5,6-pentafluorophenyl)borane?
The InChIKey is JJLNCLBKQTYOSV-AATRIKPKSA-N. The full InChI is InChI=1S/C18H11BF10/c1-2-3-4-5-6-19(7-9(20)13(24)17(28)14(25)10(7)21)8-11(22)15(26)18(29)16(27)12(8)23/h5-6H,2-4H2,1H3/b6-5+.
What are the key properties of [(E)-hex-1-enyl]-bis(2,3,4,5,6-pentafluorophenyl)borane?
[(E)-hex-1-enyl]-bis(2,3,4,5,6-pentafluorophenyl)borane has a molecular weight of 428.08 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-hex-1-enyl]-bis(2,3,4,5,6-pentafluorophenyl)borane is sourced from PubChem (CID 100930315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).