[chloro(methyl)phosphoryl]methane;dichlorophosphorylmethane;methane;N-[methoxy(methyl)phosphoryl]methanamine

C10H33Cl4NO5P4 — CID 162064298

IUPAC[chloro(methyl)phosphoryl]methane;dichlorophosphorylmethane;methane;N-[methoxy(methyl)phosphoryl]methanamine
SMILESC.C.CNP(C)(=O)OC.CP(=O)(Cl)Cl.CP(C)(=O)Cl.CP(C)(=O)Cl
InChIInChI=1S/C3H10NO2P.2C2H6ClOP.CH3Cl2OP.2CH4/c1-4-7(3,5)6-2;3*1-5(2,3)4;;/h1-3H3,(H,4,5);2*1-2H3;1H3;2*1H4
InChIKeyZAGFHLUHXRJUAY-UHFFFAOYSA-N
MW513.08 g/mol
LogP7.76
Rot. Bonds2

About [chloro(methyl)phosphoryl]methane;dichlorophosphorylmethane;methane;N-[methoxy(methyl)phosphoryl]methanamine

[chloro(methyl)phosphoryl]methane;dichlorophosphorylmethane;methane;N-[methoxy(methyl)phosphoryl]methanamine (PubChem CID 162064298) has the molecular formula C10H33Cl4NO5P4 and a molecular weight of 513.08 g/mol. Its IUPAC name is [chloro(methyl)phosphoryl]methane;dichlorophosphorylmethane;methane;N-[methoxy(methyl)phosphoryl]methanamine.

Molecular Properties

Compound Name[chloro(methyl)phosphoryl]methane;dichlorophosphorylmethane;methane;N-[methoxy(methyl)phosphoryl]methanamine
PubChem CID162064298
Molecular FormulaC10H33Cl4NO5P4
Molecular Weight513.08 g/mol
Exact Mass511.01
IUPAC Name[chloro(methyl)phosphoryl]methane;dichlorophosphorylmethane;methane;N-[methoxy(methyl)phosphoryl]methanamine
SMILESC.C.CNP(C)(=O)OC.CP(=O)(Cl)Cl.CP(C)(=O)Cl.CP(C)(=O)Cl
InChIInChI=1S/C3H10NO2P.2C2H6ClOP.CH3Cl2OP.2CH4/c1-4-7(3,5)6-2;3*1-5(2,3)4;;/h1-3H3,(H,4,5);2*1-2H3;1H3;2*1H4
InChIKeyZAGFHLUHXRJUAY-UHFFFAOYSA-N
XLogP7.76
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.08
LogP ≤ 57.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[chloro(methyl)phosphoryl]oxymethane
CID 11499216
methane;[methoxy(methyl)phosphoryl]oxymethane
CID 161343110
CID 57459832
CID 57459832
bis(N-methylmethanamine);phosphoryl trichloride
CID 87999351
[chloro(methyl)phosphoryl]-methoxymethane
CID 130324170
2-iodo-N-[methoxy(methyl)phosphoryl]ethanamine
CID 163726957
[chloro(methyl)phosphoryl]peroxymethane
CID 141034633
N-[fluoro(methylamino)phosphoryl]methanamine
CID 6451573
[chloro-[chloro(methyl)phosphoryl]oxyphosphoryl]methane
CID 10987550
2-[[methoxy(methyl)phosphoryl]amino]propanoic acid
CID 123444426
formaldehyde;bis(methyl dihydrogen phosphate)
CID 174780160
dimethyl hydrogen phosphate;methane
CID 88807117

Frequently Asked Questions

What is the IUPAC name of [chloro(methyl)phosphoryl]methane;dichlorophosphorylmethane;methane;N-[methoxy(methyl)phosphoryl]methanamine?
The IUPAC name of [chloro(methyl)phosphoryl]methane;dichlorophosphorylmethane;methane;N-[methoxy(methyl)phosphoryl]methanamine (CID 162064298) is [chloro(methyl)phosphoryl]methane;dichlorophosphorylmethane;methane;N-[methoxy(methyl)phosphoryl]methanamine.
What is the SMILES notation for [chloro(methyl)phosphoryl]methane;dichlorophosphorylmethane;methane;N-[methoxy(methyl)phosphoryl]methanamine?
The canonical SMILES for [chloro(methyl)phosphoryl]methane;dichlorophosphorylmethane;methane;N-[methoxy(methyl)phosphoryl]methanamine is C.C.CNP(C)(=O)OC.CP(=O)(Cl)Cl.CP(C)(=O)Cl.CP(C)(=O)Cl.
What is the InChIKey of [chloro(methyl)phosphoryl]methane;dichlorophosphorylmethane;methane;N-[methoxy(methyl)phosphoryl]methanamine?
The InChIKey is ZAGFHLUHXRJUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10NO2P.2C2H6ClOP.CH3Cl2OP.2CH4/c1-4-7(3,5)6-2;3*1-5(2,3)4;;/h1-3H3,(H,4,5);2*1-2H3;1H3;2*1H4.
What are the key properties of [chloro(methyl)phosphoryl]methane;dichlorophosphorylmethane;methane;N-[methoxy(methyl)phosphoryl]methanamine?
[chloro(methyl)phosphoryl]methane;dichlorophosphorylmethane;methane;N-[methoxy(methyl)phosphoryl]methanamine has a molecular weight of 513.08 g/mol, XLogP of 7.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(methyl)phosphoryl]methane;dichlorophosphorylmethane;methane;N-[methoxy(methyl)phosphoryl]methanamine is sourced from PubChem (CID 162064298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).