ethene;fluoro dihydrogen phosphate

C2H6FO4P — CID 87187087

IUPACethene;fluoro dihydrogen phosphate
SMILESC=C.O=P(O)(O)OF
InChIInChI=1S/C2H4.FH2O4P/c1-2;1-5-6(2,3)4/h1-2H2;(H2,2,3,4)
InChIKeyZLJAMJOCTLLMNN-UHFFFAOYSA-N
MW144.04 g/mol
LogP0.78
Rot. Bonds1

About ethene;fluoro dihydrogen phosphate

ethene;fluoro dihydrogen phosphate (PubChem CID 87187087) has the molecular formula C2H6FO4P and a molecular weight of 144.04 g/mol. Its IUPAC name is ethene;fluoro dihydrogen phosphate.

Molecular Properties

Compound Nameethene;fluoro dihydrogen phosphate
PubChem CID87187087
Molecular FormulaC2H6FO4P
Molecular Weight144.04 g/mol
Exact Mass144.00
IUPAC Nameethene;fluoro dihydrogen phosphate
SMILESC=C.O=P(O)(O)OF
InChIInChI=1S/C2H4.FH2O4P/c1-2;1-5-6(2,3)4/h1-2H2;(H2,2,3,4)
InChIKeyZLJAMJOCTLLMNN-UHFFFAOYSA-N
XLogP0.78
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.04
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

fluoro dihydrogen phosphate;iron
CID 173042796
fluoro dihydrogen phosphate;platinum
CID 174846501
calcium;fluoro dihydrogen phosphate;hydride
CID 174626748
sodium;fluoro dihydrogen phosphate;hydride;iron
CID 173004802
calcium;magnesium;fluoro dihydrogen phosphate;hydride
CID 174988719
azane;fluoro dihydrogen phosphate;1,2,3,4,5,6-hexachlorocyclohexane
CID 87442574
chloro(fluorooxy)phosphinic acid;chlorophosphonic acid
CID 175540690
fluorooxy dihydrogen phosphate
CID 150692430
dimethylphosphinic acid;ethene
CID 159258868
carbanylium;methyl dihydrogen phosphate
CID 165007935
fluoro methyl hydrogen phosphate
CID 87128109
bromo fluoro hydrogen phosphate
CID 174047934

Frequently Asked Questions

What is the IUPAC name of ethene;fluoro dihydrogen phosphate?
The IUPAC name of ethene;fluoro dihydrogen phosphate (CID 87187087) is ethene;fluoro dihydrogen phosphate.
What is the SMILES notation for ethene;fluoro dihydrogen phosphate?
The canonical SMILES for ethene;fluoro dihydrogen phosphate is C=C.O=P(O)(O)OF.
What is the InChIKey of ethene;fluoro dihydrogen phosphate?
The InChIKey is ZLJAMJOCTLLMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4.FH2O4P/c1-2;1-5-6(2,3)4/h1-2H2;(H2,2,3,4).
What are the key properties of ethene;fluoro dihydrogen phosphate?
ethene;fluoro dihydrogen phosphate has a molecular weight of 144.04 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;fluoro dihydrogen phosphate is sourced from PubChem (CID 87187087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).