[dimethoxyphosphoryl(fluoro)methyl]-methoxyphosphinate

C4H10FO6P2- — CID 164683979

IUPAC[dimethoxyphosphoryl(fluoro)methyl]-methoxyphosphinate
SMILESCOP(=O)([O-])C(F)P(=O)(OC)OC
InChIInChI=1S/C4H11FO6P2/c1-9-12(6,7)4(5)13(8,10-2)11-3/h4H,1-3H3,(H,6,7)/p-1
InChIKeyHERDKGWUFAVVDG-UHFFFAOYSA-M
MW235.06 g/mol
LogP0.93
Rot. Bonds5

About [dimethoxyphosphoryl(fluoro)methyl]-methoxyphosphinate

[dimethoxyphosphoryl(fluoro)methyl]-methoxyphosphinate (PubChem CID 164683979) has the molecular formula C4H10FO6P2- and a molecular weight of 235.06 g/mol. Its IUPAC name is [dimethoxyphosphoryl(fluoro)methyl]-methoxyphosphinate.

Molecular Properties

Compound Name[dimethoxyphosphoryl(fluoro)methyl]-methoxyphosphinate
PubChem CID164683979
Molecular FormulaC4H10FO6P2-
Molecular Weight235.06 g/mol
Exact Mass234.99
IUPAC Name[dimethoxyphosphoryl(fluoro)methyl]-methoxyphosphinate
SMILESCOP(=O)([O-])C(F)P(=O)(OC)OC
InChIInChI=1S/C4H11FO6P2/c1-9-12(6,7)4(5)13(8,10-2)11-3/h4H,1-3H3,(H,6,7)/p-1
InChIKeyHERDKGWUFAVVDG-UHFFFAOYSA-M
XLogP0.93
TPSA84.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.06
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis([hydroxy(phosphonato)methyl]-methoxyphosphinate);tris(lead(2+))
CID 173412535
[dimethoxyphosphoryl(fluoro)methyl]-methoxy-oxophosphanium
CID 130464175
lithium;iron(3+);methyl phosphate
CID 173011115
phosphanium dimethyl phosphate
CID 118555188
methylazanium;methyl phosphate
CID 141397686
barium(2+);bis(dimethyl phosphate)
CID 3835926
dimethylphosphinate;methoxy(methyl)phosphinate
CID 161267325
dimethoxyphosphoryl-bis(methylsulfanyl)methane
CID 5243976
1-amino-1-dimethoxyphosphoryl-2-methylpropan-2-ol
CID 175019166
lithium (1-acetyloxy-2-oxopropyl)-methoxyphosphinate
CID 140811021
1-dimethoxyphosphorylpropane-1,2-diol
CID 74820780
(1S,2S)-1-dimethoxyphosphorylpropane-1,2-diol
CID 42612314

Frequently Asked Questions

What is the IUPAC name of [dimethoxyphosphoryl(fluoro)methyl]-methoxyphosphinate?
The IUPAC name of [dimethoxyphosphoryl(fluoro)methyl]-methoxyphosphinate (CID 164683979) is [dimethoxyphosphoryl(fluoro)methyl]-methoxyphosphinate.
What is the SMILES notation for [dimethoxyphosphoryl(fluoro)methyl]-methoxyphosphinate?
The canonical SMILES for [dimethoxyphosphoryl(fluoro)methyl]-methoxyphosphinate is COP(=O)([O-])C(F)P(=O)(OC)OC.
What is the InChIKey of [dimethoxyphosphoryl(fluoro)methyl]-methoxyphosphinate?
The InChIKey is HERDKGWUFAVVDG-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H11FO6P2/c1-9-12(6,7)4(5)13(8,10-2)11-3/h4H,1-3H3,(H,6,7)/p-1.
What are the key properties of [dimethoxyphosphoryl(fluoro)methyl]-methoxyphosphinate?
[dimethoxyphosphoryl(fluoro)methyl]-methoxyphosphinate has a molecular weight of 235.06 g/mol, XLogP of 0.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethoxyphosphoryl(fluoro)methyl]-methoxyphosphinate is sourced from PubChem (CID 164683979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).