[(E)-8-fluorooctadec-7-en-7-yl]-dihexylborane

C30H60BF — CID 134879632

IUPAC[(E)-8-fluorooctadec-7-en-7-yl]-dihexylborane
SMILESCCCCCCCCCC/C(F)=C(\CCCCCC)B(CCCCCC)CCCCCC
InChIInChI=1S/C30H60BF/c1-5-9-13-17-18-19-20-22-26-30(32)29(25-21-14-10-6-2)31(27-23-15-11-7-3)28-24-16-12-8-4/h5-28H2,1-4H3/b30-29-
InChIKeyBTXXFQPLVRNSQC-FLWNBWAVSA-N
MW450.62 g/mol
LogP11.91
Rot. Bonds25

About [(E)-8-fluorooctadec-7-en-7-yl]-dihexylborane

[(E)-8-fluorooctadec-7-en-7-yl]-dihexylborane (PubChem CID 134879632) has the molecular formula C30H60BF and a molecular weight of 450.62 g/mol. Its IUPAC name is [(E)-8-fluorooctadec-7-en-7-yl]-dihexylborane.

Molecular Properties

Compound Name[(E)-8-fluorooctadec-7-en-7-yl]-dihexylborane
PubChem CID134879632
Molecular FormulaC30H60BF
Molecular Weight450.62 g/mol
Exact Mass450.48
IUPAC Name[(E)-8-fluorooctadec-7-en-7-yl]-dihexylborane
SMILESCCCCCCCCCC/C(F)=C(\CCCCCC)B(CCCCCC)CCCCCC
InChIInChI=1S/C30H60BF/c1-5-9-13-17-18-19-20-22-26-30(32)29(25-21-14-10-6-2)31(27-23-15-11-7-3)28-24-16-12-8-4/h5-28H2,1-4H3/b30-29-
InChIKeyBTXXFQPLVRNSQC-FLWNBWAVSA-N
XLogP11.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds25
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.62
LogP ≤ 511.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

diethyl-[(E)-4-fluorotetradec-3-en-3-yl]borane
CID 102382204
diethyl-[(Z)-4-fluorotetradec-3-en-3-yl]borane
CID 134879718
9,10-Difluorooctadec-9-ene
CID 71424376
(Z)-9,10-difluorooctadec-9-ene
CID 101427942
(E)-9,10-difluorooctadec-9-ene
CID 101427945
tributyl-[(E)-6-diheptylboranyltridec-5-en-5-yl]stannane
CID 9987046
tributyl-[(E)-8-diheptylboranylheptadec-8-en-9-yl]stannane
CID 9987538
tributyl-[(E)-7-dihexylboranylhexadec-7-en-8-yl]stannane
CID 10009884
tributyl-[(E)-6-dioctylboranyltetradec-5-en-5-yl]stannane
CID 10485044
tributyl-[(E)-10-dioctylboranyloctadec-9-en-9-yl]stannane
CID 10485375
tributyl-[(E)-7-diheptylboranyltetradec-6-en-6-yl]stannane
CID 10652252
tributyl-[(E)-3-diethylboranyldec-3-en-4-yl]stannane
CID 10791429

Frequently Asked Questions

What is the IUPAC name of [(E)-8-fluorooctadec-7-en-7-yl]-dihexylborane?
The IUPAC name of [(E)-8-fluorooctadec-7-en-7-yl]-dihexylborane (CID 134879632) is [(E)-8-fluorooctadec-7-en-7-yl]-dihexylborane.
What is the SMILES notation for [(E)-8-fluorooctadec-7-en-7-yl]-dihexylborane?
The canonical SMILES for [(E)-8-fluorooctadec-7-en-7-yl]-dihexylborane is CCCCCCCCCC/C(F)=C(\CCCCCC)B(CCCCCC)CCCCCC.
What is the InChIKey of [(E)-8-fluorooctadec-7-en-7-yl]-dihexylborane?
The InChIKey is BTXXFQPLVRNSQC-FLWNBWAVSA-N. The full InChI is InChI=1S/C30H60BF/c1-5-9-13-17-18-19-20-22-26-30(32)29(25-21-14-10-6-2)31(27-23-15-11-7-3)28-24-16-12-8-4/h5-28H2,1-4H3/b30-29-.
What are the key properties of [(E)-8-fluorooctadec-7-en-7-yl]-dihexylborane?
[(E)-8-fluorooctadec-7-en-7-yl]-dihexylborane has a molecular weight of 450.62 g/mol, XLogP of 11.91, 25 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-8-fluorooctadec-7-en-7-yl]-dihexylborane is sourced from PubChem (CID 134879632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).