magnesium 1-fluoro-N-methyl-N-phosphonatomethanamine

C2H5FMgNO3P — CID 178182641

IUPACmagnesium 1-fluoro-N-methyl-N-phosphonatomethanamine
SMILESCN(CF)P(=O)([O-])[O-].[Mg+2]
InChIInChI=1S/C2H7FNO3P.Mg/c1-4(2-3)8(5,6)7;/h2H2,1H3,(H2,5,6,7);/q;+2/p-2
InChIKeyUEFCBKNYCUZBCU-UHFFFAOYSA-L
MW165.34 g/mol
LogP-1.71
Rot. Bonds2

About magnesium 1-fluoro-N-methyl-N-phosphonatomethanamine

magnesium 1-fluoro-N-methyl-N-phosphonatomethanamine (PubChem CID 178182641) has the molecular formula C2H5FMgNO3P and a molecular weight of 165.34 g/mol. Its IUPAC name is magnesium 1-fluoro-N-methyl-N-phosphonatomethanamine.

Molecular Properties

Compound Namemagnesium 1-fluoro-N-methyl-N-phosphonatomethanamine
PubChem CID178182641
Molecular FormulaC2H5FMgNO3P
Molecular Weight165.34 g/mol
Exact Mass164.98
IUPAC Namemagnesium 1-fluoro-N-methyl-N-phosphonatomethanamine
SMILESCN(CF)P(=O)([O-])[O-].[Mg+2]
InChIInChI=1S/C2H7FNO3P.Mg/c1-4(2-3)8(5,6)7;/h2H2,1H3,(H2,5,6,7);/q;+2/p-2
InChIKeyUEFCBKNYCUZBCU-UHFFFAOYSA-L
XLogP-1.71
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.34
LogP ≤ 5-1.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(1-ethyl-3-methylimidazol-3-ium);1-fluoro-N-methyl-N-phosphonatomethanamine
CID 178182737
disodium;N-methyl-N-phosphonatoethanamine
CID 88812054
fluoro(fluoromethyl)phosphinate
CID 59068302
N-methyl-N-phosphonatomethanamine;bis(trimethyl(propyl)azanium)
CID 178182657
trimagnesium;iron(3+);triphosphate
CID 173343441
dimagnesium;hydroxide;phosphate
CID 157147932
CID 86747219
CID 86747219
magnesium;potassium;phosphate
CID 14367919
disodium;fluoromethyl phosphate
CID 59669328
chloro-[methyl-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]amino]phosphinate
CID 148550048
butane;lanthanum(3+);phosphate
CID 118953489
dilithium;difluorophosphinate;tetrafluoroborate
CID 174049644

Frequently Asked Questions

What is the IUPAC name of magnesium 1-fluoro-N-methyl-N-phosphonatomethanamine?
The IUPAC name of magnesium 1-fluoro-N-methyl-N-phosphonatomethanamine (CID 178182641) is magnesium 1-fluoro-N-methyl-N-phosphonatomethanamine.
What is the SMILES notation for magnesium 1-fluoro-N-methyl-N-phosphonatomethanamine?
The canonical SMILES for magnesium 1-fluoro-N-methyl-N-phosphonatomethanamine is CN(CF)P(=O)([O-])[O-].[Mg+2].
What is the InChIKey of magnesium 1-fluoro-N-methyl-N-phosphonatomethanamine?
The InChIKey is UEFCBKNYCUZBCU-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H7FNO3P.Mg/c1-4(2-3)8(5,6)7;/h2H2,1H3,(H2,5,6,7);/q;+2/p-2.
What are the key properties of magnesium 1-fluoro-N-methyl-N-phosphonatomethanamine?
magnesium 1-fluoro-N-methyl-N-phosphonatomethanamine has a molecular weight of 165.34 g/mol, XLogP of -1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium 1-fluoro-N-methyl-N-phosphonatomethanamine is sourced from PubChem (CID 178182641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).