fluoro methyl hydrogen phosphate

CH4FO4P — CID 87128109

IUPACfluoro methyl hydrogen phosphate
SMILESCOP(=O)(O)OF
InChIInChI=1S/CH4FO4P/c1-5-7(3,4)6-2/h1H3,(H,3,4)
InChIKeyPVPMYSRJBYFWIO-UHFFFAOYSA-N
MW130.01 g/mol
LogP0.63
Rot. Bonds2

About fluoro methyl hydrogen phosphate

fluoro methyl hydrogen phosphate (PubChem CID 87128109) has the molecular formula CH4FO4P and a molecular weight of 130.01 g/mol. Its IUPAC name is fluoro methyl hydrogen phosphate.

Molecular Properties

Compound Namefluoro methyl hydrogen phosphate
PubChem CID87128109
Molecular FormulaCH4FO4P
Molecular Weight130.01 g/mol
Exact Mass129.98
IUPAC Namefluoro methyl hydrogen phosphate
SMILESCOP(=O)(O)OF
InChIInChI=1S/CH4FO4P/c1-5-7(3,4)6-2/h1H3,(H,3,4)
InChIKeyPVPMYSRJBYFWIO-UHFFFAOYSA-N
XLogP0.63
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.01
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethylbutane-2,3-diol;fluoro methyl hydrogen phosphate
CID 175130665
tris(dimethyl hydrogen phosphate);titanium
CID 131876605
dimethyl hydrogen phosphate;methane
CID 88807117
dimethyl hydrogen phosphate;heptahydrate
CID 175149976
carbanylium;methyl dihydrogen phosphate
CID 165007935
sodium;azane;dimethyl hydrogen phosphate;hydride
CID 175474279
CID 59319489
CID 59319489
fluoro(methoxy)phosphinic acid
CID 23235630
[fluorooxy(hydroxy)phosphoryl] acetate
CID 54246379
fluoro propan-2-yl hydrogen phosphate
CID 22590861
bromo fluoro hydrogen phosphate
CID 174047934
azane;methyl phosphono hydrogen phosphate
CID 175124465

Frequently Asked Questions

What is the IUPAC name of fluoro methyl hydrogen phosphate?
The IUPAC name of fluoro methyl hydrogen phosphate (CID 87128109) is fluoro methyl hydrogen phosphate.
What is the SMILES notation for fluoro methyl hydrogen phosphate?
The canonical SMILES for fluoro methyl hydrogen phosphate is COP(=O)(O)OF.
What is the InChIKey of fluoro methyl hydrogen phosphate?
The InChIKey is PVPMYSRJBYFWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4FO4P/c1-5-7(3,4)6-2/h1H3,(H,3,4).
What are the key properties of fluoro methyl hydrogen phosphate?
fluoro methyl hydrogen phosphate has a molecular weight of 130.01 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro methyl hydrogen phosphate is sourced from PubChem (CID 87128109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).