potassium trifluoro(octyl)boranuide

C8H17BF3K — CID 23669709

IUPACpotassium trifluoro(octyl)boranuide
SMILESCCCCCCCC[B-](F)(F)F.[K+]
InChIInChI=1S/C8H17BF3.K/c1-2-3-4-5-6-7-8-9(10,11)12;/h2-8H2,1H3;/q-1;+1
InChIKeyAPRQWJZXYZWRAM-UHFFFAOYSA-N
MW220.13 g/mol
LogP1.20
Rot. Bonds7

About potassium trifluoro(octyl)boranuide

potassium trifluoro(octyl)boranuide (PubChem CID 23669709) has the molecular formula C8H17BF3K and a molecular weight of 220.13 g/mol. Its IUPAC name is potassium trifluoro(octyl)boranuide.

Molecular Properties

Compound Namepotassium trifluoro(octyl)boranuide
PubChem CID23669709
Molecular FormulaC8H17BF3K
Molecular Weight220.13 g/mol
Exact Mass220.10
IUPAC Namepotassium trifluoro(octyl)boranuide
SMILESCCCCCCCC[B-](F)(F)F.[K+]
InChIInChI=1S/C8H17BF3.K/c1-2-3-4-5-6-7-8-9(10,11)12;/h2-8H2,1H3;/q-1;+1
InChIKeyAPRQWJZXYZWRAM-UHFFFAOYSA-N
XLogP1.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.13
LogP ≤ 51.20
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

potassium 7-bromoheptyl(trifluoro)boranuide
CID 169448352
decane;heptane
CID 159049036
dohexacontane
CID 522644
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
henoctacontane
CID 22086342
CID 161246447
CID 161246447
triacontane
CID 12535
dictane
CID 19848341
heptahectane
CID 123338944

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro(octyl)boranuide?
The IUPAC name of potassium trifluoro(octyl)boranuide (CID 23669709) is potassium trifluoro(octyl)boranuide.
What is the SMILES notation for potassium trifluoro(octyl)boranuide?
The canonical SMILES for potassium trifluoro(octyl)boranuide is CCCCCCCC[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro(octyl)boranuide?
The InChIKey is APRQWJZXYZWRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17BF3.K/c1-2-3-4-5-6-7-8-9(10,11)12;/h2-8H2,1H3;/q-1;+1.
What are the key properties of potassium trifluoro(octyl)boranuide?
potassium trifluoro(octyl)boranuide has a molecular weight of 220.13 g/mol, XLogP of 1.20, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro(octyl)boranuide is sourced from PubChem (CID 23669709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).