diethyl-[(E)-4-fluorotetradec-3-en-3-yl]borane

C18H36BF — CID 102382204

IUPACdiethyl-[(E)-4-fluorotetradec-3-en-3-yl]borane
SMILESCCCCCCCCCC/C(F)=C(\CC)B(CC)CC
InChIInChI=1S/C18H36BF/c1-5-9-10-11-12-13-14-15-16-18(20)17(6-2)19(7-3)8-4/h5-16H2,1-4H3/b18-17-
InChIKeyHVHYSLPTUMMNCL-ZCXUNETKSA-N
MW282.30 g/mol
LogP7.22
Rot. Bonds13

About diethyl-[(E)-4-fluorotetradec-3-en-3-yl]borane

diethyl-[(E)-4-fluorotetradec-3-en-3-yl]borane (PubChem CID 102382204) has the molecular formula C18H36BF and a molecular weight of 282.30 g/mol. Its IUPAC name is diethyl-[(E)-4-fluorotetradec-3-en-3-yl]borane.

Molecular Properties

Compound Namediethyl-[(E)-4-fluorotetradec-3-en-3-yl]borane
PubChem CID102382204
Molecular FormulaC18H36BF
Molecular Weight282.30 g/mol
Exact Mass282.29
IUPAC Namediethyl-[(E)-4-fluorotetradec-3-en-3-yl]borane
SMILESCCCCCCCCCC/C(F)=C(\CC)B(CC)CC
InChIInChI=1S/C18H36BF/c1-5-9-10-11-12-13-14-15-16-18(20)17(6-2)19(7-3)8-4/h5-16H2,1-4H3/b18-17-
InChIKeyHVHYSLPTUMMNCL-ZCXUNETKSA-N
XLogP7.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.30
LogP ≤ 57.22
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'}

Analyze diethyl-[(E)-4-fluorotetradec-3-en-3-yl]borane with MolForge

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

Launch Full Analysis

Related Compounds

[(E)-8-fluorooctadec-7-en-7-yl]-dihexylborane
CID 134879632
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 diethyl-[(E)-4-fluorotetradec-3-en-3-yl]borane?
The IUPAC name of diethyl-[(E)-4-fluorotetradec-3-en-3-yl]borane (CID 102382204) is diethyl-[(E)-4-fluorotetradec-3-en-3-yl]borane.
What is the SMILES notation for diethyl-[(E)-4-fluorotetradec-3-en-3-yl]borane?
The canonical SMILES for diethyl-[(E)-4-fluorotetradec-3-en-3-yl]borane is CCCCCCCCCC/C(F)=C(\CC)B(CC)CC.
What is the InChIKey of diethyl-[(E)-4-fluorotetradec-3-en-3-yl]borane?
The InChIKey is HVHYSLPTUMMNCL-ZCXUNETKSA-N. The full InChI is InChI=1S/C18H36BF/c1-5-9-10-11-12-13-14-15-16-18(20)17(6-2)19(7-3)8-4/h5-16H2,1-4H3/b18-17-.
What are the key properties of diethyl-[(E)-4-fluorotetradec-3-en-3-yl]borane?
diethyl-[(E)-4-fluorotetradec-3-en-3-yl]borane has a molecular weight of 282.30 g/mol, XLogP of 7.22, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[(E)-4-fluorotetradec-3-en-3-yl]borane is sourced from PubChem (CID 102382204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).