potassium [(5S,6R)-5,6-dihydroxyoctyl]-trifluoroboranuide

C8H17BF3KO2 — CID 23666197

IUPACpotassium [(5S,6R)-5,6-dihydroxyoctyl]-trifluoroboranuide
SMILESCC[C@@H](O)[C@@H](O)CCCC[B-](F)(F)F.[K+]
InChIInChI=1S/C8H17BF3O2.K/c1-2-7(13)8(14)5-3-4-6-9(10,11)12;/h7-8,13-14H,2-6H2,1H3;/q-1;+1/t7-,8+;/m1./s1
InChIKeyILNNHECYNGMSAF-WLYNEOFISA-N
MW252.13 g/mol
LogP-0.86
Rot. Bonds7

About potassium [(5S,6R)-5,6-dihydroxyoctyl]-trifluoroboranuide

potassium [(5S,6R)-5,6-dihydroxyoctyl]-trifluoroboranuide (PubChem CID 23666197) has the molecular formula C8H17BF3KO2 and a molecular weight of 252.13 g/mol. Its IUPAC name is potassium [(5S,6R)-5,6-dihydroxyoctyl]-trifluoroboranuide.

Molecular Properties

Compound Namepotassium [(5S,6R)-5,6-dihydroxyoctyl]-trifluoroboranuide
PubChem CID23666197
Molecular FormulaC8H17BF3KO2
Molecular Weight252.13 g/mol
Exact Mass252.09
IUPAC Namepotassium [(5S,6R)-5,6-dihydroxyoctyl]-trifluoroboranuide
SMILESCC[C@@H](O)[C@@H](O)CCCC[B-](F)(F)F.[K+]
InChIInChI=1S/C8H17BF3O2.K/c1-2-7(13)8(14)5-3-4-6-9(10,11)12;/h7-8,13-14H,2-6H2,1H3;/q-1;+1/t7-,8+;/m1./s1
InChIKeyILNNHECYNGMSAF-WLYNEOFISA-N
XLogP-0.86
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.13
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

decane-3,4,8-triol
CID 57273849
(3S,4S)-octane-3,4-diol
CID 132990515
potassium trifluoro(octyl)boranuide
CID 23669709
(19R,20R)-19,20-dihydroxydocosanoic acid
CID 131704445
nonacosane-14,15-diol
CID 91509633
tridec-2-ene-1,10,11-triol
CID 163934524
(8S,9S,12R,13R)-icosane-8,9,12,13-tetrol
CID 88872017
heptane-3,4-diol;heptane-3,5-diol
CID 159964134
methyl 9,10-dihydroxydodecanoate
CID 15693504
1-fluoropentadecane-3,4-diol
CID 174316140
octadecane-5,9,10,14-tetrol
CID 123917796
pentadecane-4,5-diol
CID 103454846

Frequently Asked Questions

What is the IUPAC name of potassium [(5S,6R)-5,6-dihydroxyoctyl]-trifluoroboranuide?
The IUPAC name of potassium [(5S,6R)-5,6-dihydroxyoctyl]-trifluoroboranuide (CID 23666197) is potassium [(5S,6R)-5,6-dihydroxyoctyl]-trifluoroboranuide.
What is the SMILES notation for potassium [(5S,6R)-5,6-dihydroxyoctyl]-trifluoroboranuide?
The canonical SMILES for potassium [(5S,6R)-5,6-dihydroxyoctyl]-trifluoroboranuide is CC[C@@H](O)[C@@H](O)CCCC[B-](F)(F)F.[K+].
What is the InChIKey of potassium [(5S,6R)-5,6-dihydroxyoctyl]-trifluoroboranuide?
The InChIKey is ILNNHECYNGMSAF-WLYNEOFISA-N. The full InChI is InChI=1S/C8H17BF3O2.K/c1-2-7(13)8(14)5-3-4-6-9(10,11)12;/h7-8,13-14H,2-6H2,1H3;/q-1;+1/t7-,8+;/m1./s1.
What are the key properties of potassium [(5S,6R)-5,6-dihydroxyoctyl]-trifluoroboranuide?
potassium [(5S,6R)-5,6-dihydroxyoctyl]-trifluoroboranuide has a molecular weight of 252.13 g/mol, XLogP of -0.86, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium [(5S,6R)-5,6-dihydroxyoctyl]-trifluoroboranuide is sourced from PubChem (CID 23666197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).