ethyl fluoro methyl phosphate

C3H8FO4P — CID 87128497

IUPACethyl fluoro methyl phosphate
SMILESCCOP(=O)(OC)OF
InChIInChI=1S/C3H8FO4P/c1-3-7-9(5,6-2)8-4/h3H2,1-2H3
InChIKeyANNHHQUDUGYOOM-UHFFFAOYSA-N
MW158.06 g/mol
LogP1.68
Rot. Bonds4

About ethyl fluoro methyl phosphate

ethyl fluoro methyl phosphate (PubChem CID 87128497) has the molecular formula C3H8FO4P and a molecular weight of 158.06 g/mol. Its IUPAC name is ethyl fluoro methyl phosphate.

Molecular Properties

Compound Nameethyl fluoro methyl phosphate
PubChem CID87128497
Molecular FormulaC3H8FO4P
Molecular Weight158.06 g/mol
Exact Mass158.01
IUPAC Nameethyl fluoro methyl phosphate
SMILESCCOP(=O)(OC)OF
InChIInChI=1S/C3H8FO4P/c1-3-7-9(5,6-2)8-4/h3H2,1-2H3
InChIKeyANNHHQUDUGYOOM-UHFFFAOYSA-N
XLogP1.68
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.06
LogP ≤ 51.68
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 ethyl fluoro methyl phosphate?
The IUPAC name of ethyl fluoro methyl phosphate (CID 87128497) is ethyl fluoro methyl phosphate.
What is the SMILES notation for ethyl fluoro methyl phosphate?
The canonical SMILES for ethyl fluoro methyl phosphate is CCOP(=O)(OC)OF.
What is the InChIKey of ethyl fluoro methyl phosphate?
The InChIKey is ANNHHQUDUGYOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8FO4P/c1-3-7-9(5,6-2)8-4/h3H2,1-2H3.
What are the key properties of ethyl fluoro methyl phosphate?
ethyl fluoro methyl phosphate has a molecular weight of 158.06 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl fluoro methyl phosphate is sourced from PubChem (CID 87128497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).