disodium;fluoromethyl phosphate

CH2FNa2O4P — CID 59669328

IUPACdisodium;fluoromethyl phosphate
SMILESO=P([O-])([O-])OCF.[Na+].[Na+]
InChIInChI=1S/CH4FO4P.2Na/c2-1-6-7(3,4)5;;/h1H2,(H2,3,4,5);;/q;2*+1/p-2
InChIKeyULGQHYNRNKPSNZ-UHFFFAOYSA-L
MW173.97 g/mol
LogP-7.23
Rot. Bonds2

About disodium;fluoromethyl phosphate

disodium;fluoromethyl phosphate (PubChem CID 59669328) has the molecular formula CH2FNa2O4P and a molecular weight of 173.97 g/mol. Its IUPAC name is disodium;fluoromethyl phosphate.

Molecular Properties

Compound Namedisodium;fluoromethyl phosphate
PubChem CID59669328
Molecular FormulaCH2FNa2O4P
Molecular Weight173.97 g/mol
Exact Mass173.95
IUPAC Namedisodium;fluoromethyl phosphate
SMILESO=P([O-])([O-])OCF.[Na+].[Na+]
InChIInChI=1S/CH4FO4P.2Na/c2-1-6-7(3,4)5;;/h1H2,(H2,3,4,5);;/q;2*+1/p-2
InChIKeyULGQHYNRNKPSNZ-UHFFFAOYSA-L
XLogP-7.23
TPSA72.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.97
LogP ≤ 5-7.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of disodium;fluoromethyl phosphate?
The IUPAC name of disodium;fluoromethyl phosphate (CID 59669328) is disodium;fluoromethyl phosphate.
What is the SMILES notation for disodium;fluoromethyl phosphate?
The canonical SMILES for disodium;fluoromethyl phosphate is O=P([O-])([O-])OCF.[Na+].[Na+].
What is the InChIKey of disodium;fluoromethyl phosphate?
The InChIKey is ULGQHYNRNKPSNZ-UHFFFAOYSA-L. The full InChI is InChI=1S/CH4FO4P.2Na/c2-1-6-7(3,4)5;;/h1H2,(H2,3,4,5);;/q;2*+1/p-2.
What are the key properties of disodium;fluoromethyl phosphate?
disodium;fluoromethyl phosphate has a molecular weight of 173.97 g/mol, XLogP of -7.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;fluoromethyl phosphate is sourced from PubChem (CID 59669328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).