dimethylaminooxy(fluoro)phosphinic acid;1,2,3,4,5,6-hexachlorocyclohexane;phosphane

C8H16Cl6FNO3P2 — CID 173255105

IUPACdimethylaminooxy(fluoro)phosphinic acid;1,2,3,4,5,6-hexachlorocyclohexane;phosphane
SMILESCN(C)OP(=O)(O)F.ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl.P
InChIInChI=1S/C6H6Cl6.C2H7FNO3P.H3P/c7-1-2(8)4(10)6(12)5(11)3(1)9;1-4(2)7-8(3,5)6;/h1-6H;1-2H3,(H,5,6);1H3
InChIKeyCLNVADPWZMVJPK-UHFFFAOYSA-N
MW467.88 g/mol
LogP4.25
Rot. Bonds2

About dimethylaminooxy(fluoro)phosphinic acid;1,2,3,4,5,6-hexachlorocyclohexane;phosphane

dimethylaminooxy(fluoro)phosphinic acid;1,2,3,4,5,6-hexachlorocyclohexane;phosphane (PubChem CID 173255105) has the molecular formula C8H16Cl6FNO3P2 and a molecular weight of 467.88 g/mol. Its IUPAC name is dimethylaminooxy(fluoro)phosphinic acid;1,2,3,4,5,6-hexachlorocyclohexane;phosphane.

Molecular Properties

Compound Namedimethylaminooxy(fluoro)phosphinic acid;1,2,3,4,5,6-hexachlorocyclohexane;phosphane
PubChem CID173255105
Molecular FormulaC8H16Cl6FNO3P2
Molecular Weight467.88 g/mol
Exact Mass464.87
IUPAC Namedimethylaminooxy(fluoro)phosphinic acid;1,2,3,4,5,6-hexachlorocyclohexane;phosphane
SMILESCN(C)OP(=O)(O)F.ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl.P
InChIInChI=1S/C6H6Cl6.C2H7FNO3P.H3P/c7-1-2(8)4(10)6(12)5(11)3(1)9;1-4(2)7-8(3,5)6;/h1-6H;1-2H3,(H,5,6);1H3
InChIKeyCLNVADPWZMVJPK-UHFFFAOYSA-N
XLogP4.25
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.88
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dimethylaminooxy(fluoro)phosphinic acid;fluoro(phosphanyloxy)phosphinic acid;fluorophosphonic acid
CID 173362900
fluoro(methoxy)phosphinic acid
CID 23235630
azane;fluoro dihydrogen phosphate;1,2,3,4,5,6-hexachlorocyclohexane
CID 87442574
sodium bis(dimethylamino) phosphate
CID 23665369
fluoro(silyloxy)phosphinic acid
CID 172698525
N,N-dimethylmethanamine;methyl dihydrogen phosphate
CID 161217786
fluoro(2-fluoropropoxy)phosphinic acid
CID 150074483
bis(difluorophosphinic acid);hydrate
CID 56776517
fluorophosphonic acid;dihydroiodide
CID 172705626
fluorophosphonic acid;zinc
CID 173113621
copper;fluorophosphonic acid
CID 173104152
alumane;fluorophosphonic acid
CID 173163644

Frequently Asked Questions

What is the IUPAC name of dimethylaminooxy(fluoro)phosphinic acid;1,2,3,4,5,6-hexachlorocyclohexane;phosphane?
The IUPAC name of dimethylaminooxy(fluoro)phosphinic acid;1,2,3,4,5,6-hexachlorocyclohexane;phosphane (CID 173255105) is dimethylaminooxy(fluoro)phosphinic acid;1,2,3,4,5,6-hexachlorocyclohexane;phosphane.
What is the SMILES notation for dimethylaminooxy(fluoro)phosphinic acid;1,2,3,4,5,6-hexachlorocyclohexane;phosphane?
The canonical SMILES for dimethylaminooxy(fluoro)phosphinic acid;1,2,3,4,5,6-hexachlorocyclohexane;phosphane is CN(C)OP(=O)(O)F.ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl.P.
What is the InChIKey of dimethylaminooxy(fluoro)phosphinic acid;1,2,3,4,5,6-hexachlorocyclohexane;phosphane?
The InChIKey is CLNVADPWZMVJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl6.C2H7FNO3P.H3P/c7-1-2(8)4(10)6(12)5(11)3(1)9;1-4(2)7-8(3,5)6;/h1-6H;1-2H3,(H,5,6);1H3.
What are the key properties of dimethylaminooxy(fluoro)phosphinic acid;1,2,3,4,5,6-hexachlorocyclohexane;phosphane?
dimethylaminooxy(fluoro)phosphinic acid;1,2,3,4,5,6-hexachlorocyclohexane;phosphane has a molecular weight of 467.88 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylaminooxy(fluoro)phosphinic acid;1,2,3,4,5,6-hexachlorocyclohexane;phosphane is sourced from PubChem (CID 173255105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).