potassium;1,2,3,4,5,6-hexachlorocyclohexane;hydride;titanium;tetrahydrate;hydrofluoride

C6H16Cl6FKO4Ti — CID 173313792

IUPACpotassium;1,2,3,4,5,6-hexachlorocyclohexane;hydride;titanium;tetrahydrate;hydrofluoride
SMILESClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl.F.O.O.O.O.[H-].[K+].[Ti]
InChIInChI=1S/C6H6Cl6.FH.K.4H2O.Ti.H/c7-1-2(8)4(10)6(12)5(11)3(1)9;;;;;;;;/h1-6H;1H;;4*1H2;;/q;;+1;;;;;;-1
InChIKeyBRSOXCZAPPJURW-UHFFFAOYSA-N
MW470.87 g/mol
LogP-2.39
Rot. Bonds

About potassium;1,2,3,4,5,6-hexachlorocyclohexane;hydride;titanium;tetrahydrate;hydrofluoride

potassium;1,2,3,4,5,6-hexachlorocyclohexane;hydride;titanium;tetrahydrate;hydrofluoride (PubChem CID 173313792) has the molecular formula C6H16Cl6FKO4Ti and a molecular weight of 470.87 g/mol. Its IUPAC name is potassium;1,2,3,4,5,6-hexachlorocyclohexane;hydride;titanium;tetrahydrate;hydrofluoride.

Molecular Properties

Compound Namepotassium;1,2,3,4,5,6-hexachlorocyclohexane;hydride;titanium;tetrahydrate;hydrofluoride
PubChem CID173313792
Molecular FormulaC6H16Cl6FKO4Ti
Molecular Weight470.87 g/mol
Exact Mass467.83
IUPAC Namepotassium;1,2,3,4,5,6-hexachlorocyclohexane;hydride;titanium;tetrahydrate;hydrofluoride
SMILESClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl.F.O.O.O.O.[H-].[K+].[Ti]
InChIInChI=1S/C6H6Cl6.FH.K.4H2O.Ti.H/c7-1-2(8)4(10)6(12)5(11)3(1)9;;;;;;;;/h1-6H;1H;;4*1H2;;/q;;+1;;;;;;-1
InChIKeyBRSOXCZAPPJURW-UHFFFAOYSA-N
XLogP-2.39
TPSA126.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.87
LogP ≤ 5-2.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze potassium;1,2,3,4,5,6-hexachlorocyclohexane;hydride;titanium;tetrahydrate;hydrofluoride 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

strontium;1,2,3,4,5,6-hexachlorocyclohexane;hydride
CID 173388898
sodium;1,2,3,4,5,6-hexachlorocyclohexane;hydride
CID 173006029
1,2,3,4,5,6-hexachlorocyclohexane;iron
CID 87747584
1,2,3,4,5,6-hexachlorocyclohexane;rhenium
CID 88652983
ethene;1,2,3,4,5,6-hexachlorocyclohexane
CID 22457055
potassium;hydride;trihydrate
CID 173043174
potassium;hydride;heptahydrate
CID 173112557
tetrapotassium;hydride;octahydrate
CID 173042408
tripotassium;hydride;trihydrate
CID 173143566
undecapotassium;hydride;trihydrate
CID 173189618
diberyllium;hydride;hydrate
CID 173254249
chlorocyclopropane;1,2,3,4,5,6-hexachlorocyclohexane
CID 88651642

Frequently Asked Questions

What is the IUPAC name of potassium;1,2,3,4,5,6-hexachlorocyclohexane;hydride;titanium;tetrahydrate;hydrofluoride?
The IUPAC name of potassium;1,2,3,4,5,6-hexachlorocyclohexane;hydride;titanium;tetrahydrate;hydrofluoride (CID 173313792) is potassium;1,2,3,4,5,6-hexachlorocyclohexane;hydride;titanium;tetrahydrate;hydrofluoride.
What is the SMILES notation for potassium;1,2,3,4,5,6-hexachlorocyclohexane;hydride;titanium;tetrahydrate;hydrofluoride?
The canonical SMILES for potassium;1,2,3,4,5,6-hexachlorocyclohexane;hydride;titanium;tetrahydrate;hydrofluoride is ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl.F.O.O.O.O.[H-].[K+].[Ti].
What is the InChIKey of potassium;1,2,3,4,5,6-hexachlorocyclohexane;hydride;titanium;tetrahydrate;hydrofluoride?
The InChIKey is BRSOXCZAPPJURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl6.FH.K.4H2O.Ti.H/c7-1-2(8)4(10)6(12)5(11)3(1)9;;;;;;;;/h1-6H;1H;;4*1H2;;/q;;+1;;;;;;-1.
What are the key properties of potassium;1,2,3,4,5,6-hexachlorocyclohexane;hydride;titanium;tetrahydrate;hydrofluoride?
potassium;1,2,3,4,5,6-hexachlorocyclohexane;hydride;titanium;tetrahydrate;hydrofluoride has a molecular weight of 470.87 g/mol, XLogP of -2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;1,2,3,4,5,6-hexachlorocyclohexane;hydride;titanium;tetrahydrate;hydrofluoride is sourced from PubChem (CID 173313792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).