azane;fluoro dihydrogen phosphate;1,2,3,4,5,6-hexachlorocyclohexane

C6H11Cl6FNO4P — CID 87442574

IUPACazane;fluoro dihydrogen phosphate;1,2,3,4,5,6-hexachlorocyclohexane
SMILESClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl.N.O=P(O)(O)OF
InChIInChI=1S/C6H6Cl6.FH2O4P.H3N/c7-1-2(8)4(10)6(12)5(11)3(1)9;1-5-6(2,3)4;/h1-6H;(H2,2,3,4);1H3
InChIKeyXDGNNQLGQSBRNM-UHFFFAOYSA-N
MW423.85 g/mol
LogP3.79
Rot. Bonds1

About azane;fluoro dihydrogen phosphate;1,2,3,4,5,6-hexachlorocyclohexane

azane;fluoro dihydrogen phosphate;1,2,3,4,5,6-hexachlorocyclohexane (PubChem CID 87442574) has the molecular formula C6H11Cl6FNO4P and a molecular weight of 423.85 g/mol. Its IUPAC name is azane;fluoro dihydrogen phosphate;1,2,3,4,5,6-hexachlorocyclohexane.

Molecular Properties

Compound Nameazane;fluoro dihydrogen phosphate;1,2,3,4,5,6-hexachlorocyclohexane
PubChem CID87442574
Molecular FormulaC6H11Cl6FNO4P
Molecular Weight423.85 g/mol
Exact Mass420.85
IUPAC Nameazane;fluoro dihydrogen phosphate;1,2,3,4,5,6-hexachlorocyclohexane
SMILESClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl.N.O=P(O)(O)OF
InChIInChI=1S/C6H6Cl6.FH2O4P.H3N/c7-1-2(8)4(10)6(12)5(11)3(1)9;1-5-6(2,3)4;/h1-6H;(H2,2,3,4);1H3
InChIKeyXDGNNQLGQSBRNM-UHFFFAOYSA-N
XLogP3.79
TPSA101.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.85
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 87187087
sodium;fluoro dihydrogen phosphate;hydride;iron
CID 173004802
chloro(fluorooxy)phosphinic acid;chlorophosphonic acid
CID 175540690
calcium;magnesium;fluoro dihydrogen phosphate;hydride
CID 174988719
fluorooxy dihydrogen phosphate
CID 150692430
dimethylaminooxy(fluoro)phosphinic acid;1,2,3,4,5,6-hexachlorocyclohexane;phosphane
CID 173255105
beryllium fluoro phosphate
CID 175504741
carbanylium;methyl dihydrogen phosphate
CID 165007935
azane;hydron;phosphono dihydrogen phosphate
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Frequently Asked Questions

What is the IUPAC name of azane;fluoro dihydrogen phosphate;1,2,3,4,5,6-hexachlorocyclohexane?
The IUPAC name of azane;fluoro dihydrogen phosphate;1,2,3,4,5,6-hexachlorocyclohexane (CID 87442574) is azane;fluoro dihydrogen phosphate;1,2,3,4,5,6-hexachlorocyclohexane.
What is the SMILES notation for azane;fluoro dihydrogen phosphate;1,2,3,4,5,6-hexachlorocyclohexane?
The canonical SMILES for azane;fluoro dihydrogen phosphate;1,2,3,4,5,6-hexachlorocyclohexane is ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl.N.O=P(O)(O)OF.
What is the InChIKey of azane;fluoro dihydrogen phosphate;1,2,3,4,5,6-hexachlorocyclohexane?
The InChIKey is XDGNNQLGQSBRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl6.FH2O4P.H3N/c7-1-2(8)4(10)6(12)5(11)3(1)9;1-5-6(2,3)4;/h1-6H;(H2,2,3,4);1H3.
What are the key properties of azane;fluoro dihydrogen phosphate;1,2,3,4,5,6-hexachlorocyclohexane?
azane;fluoro dihydrogen phosphate;1,2,3,4,5,6-hexachlorocyclohexane has a molecular weight of 423.85 g/mol, XLogP of 3.79, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;fluoro dihydrogen phosphate;1,2,3,4,5,6-hexachlorocyclohexane is sourced from PubChem (CID 87442574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).