chloro ethyl fluoro phosphate

C2H5ClFO4P — CID 21431910

IUPACchloro ethyl fluoro phosphate
SMILESCCOP(=O)(OF)OCl
InChIInChI=1S/C2H5ClFO4P/c1-2-6-9(5,7-3)8-4/h2H2,1H3
InChIKeyCEMQJIGHNLFIGX-UHFFFAOYSA-N
MW178.48 g/mol
LogP2.20
Rot. Bonds4

About chloro ethyl fluoro phosphate

chloro ethyl fluoro phosphate (PubChem CID 21431910) has the molecular formula C2H5ClFO4P and a molecular weight of 178.48 g/mol. Its IUPAC name is chloro ethyl fluoro phosphate.

Molecular Properties

Compound Namechloro ethyl fluoro phosphate
PubChem CID21431910
Molecular FormulaC2H5ClFO4P
Molecular Weight178.48 g/mol
Exact Mass177.96
IUPAC Namechloro ethyl fluoro phosphate
SMILESCCOP(=O)(OF)OCl
InChIInChI=1S/C2H5ClFO4P/c1-2-6-9(5,7-3)8-4/h2H2,1H3
InChIKeyCEMQJIGHNLFIGX-UHFFFAOYSA-N
XLogP2.20
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.48
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethyl dichlorophosphate
CID 15158
Monoethyl phosphate
CID 74190
Ethyl phosphate(2-)
CID 12691392
Phosphoethanol
CID 6857927
Ethyl fluoro methyl phosphate
CID 87128497
[Ethoxy(oxido)phosphoryl] phosphate
CID 72200172
O-methyl methylchloro-phosphonate
CID 14957583
Ethyl phosphorochloridofluoridate
CID 23416048
Ethyl hydrogen phosphate
CID 19068805
Phosphoric acid, monoethyl ester, zinc salt (1:1)
CID 85474
(Phosphorosooxy)ethane
CID 11126182
Ethyl methyl chlorophosphonate
CID 12705480

Frequently Asked Questions

What is the IUPAC name of chloro ethyl fluoro phosphate?
The IUPAC name of chloro ethyl fluoro phosphate (CID 21431910) is chloro ethyl fluoro phosphate.
What is the SMILES notation for chloro ethyl fluoro phosphate?
The canonical SMILES for chloro ethyl fluoro phosphate is CCOP(=O)(OF)OCl.
What is the InChIKey of chloro ethyl fluoro phosphate?
The InChIKey is CEMQJIGHNLFIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5ClFO4P/c1-2-6-9(5,7-3)8-4/h2H2,1H3.
What are the key properties of chloro ethyl fluoro phosphate?
chloro ethyl fluoro phosphate has a molecular weight of 178.48 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloro ethyl fluoro phosphate is sourced from PubChem (CID 21431910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).