2,2-dichloroacetic acid;fluorophosphonic acid

C2H4Cl2FO5P — CID 88775325

IUPAC2,2-dichloroacetic acid;fluorophosphonic acid
SMILESO=C(O)C(Cl)Cl.O=P(O)(O)F
InChIInChI=1S/C2H2Cl2O2.FH2O3P/c3-1(4)2(5)6;1-5(2,3)4/h1H,(H,5,6);(H2,2,3,4)
InChIKeyICMJNZVGXODPGZ-UHFFFAOYSA-N
MW228.93 g/mol
LogP0.92
Rot. Bonds1

About 2,2-dichloroacetic acid;fluorophosphonic acid

2,2-dichloroacetic acid;fluorophosphonic acid (PubChem CID 88775325) has the molecular formula C2H4Cl2FO5P and a molecular weight of 228.93 g/mol. Its IUPAC name is 2,2-dichloroacetic acid;fluorophosphonic acid.

Molecular Properties

Compound Name2,2-dichloroacetic acid;fluorophosphonic acid
PubChem CID88775325
Molecular FormulaC2H4Cl2FO5P
Molecular Weight228.93 g/mol
Exact Mass227.92
IUPAC Name2,2-dichloroacetic acid;fluorophosphonic acid
SMILESO=C(O)C(Cl)Cl.O=P(O)(O)F
InChIInChI=1S/C2H2Cl2O2.FH2O3P/c3-1(4)2(5)6;1-5(2,3)4/h1H,(H,5,6);(H2,2,3,4)
InChIKeyICMJNZVGXODPGZ-UHFFFAOYSA-N
XLogP0.92
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.93
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(2,2-dichloroacetic acid);dihydrochloride
CID 173211247
carbonic acid;difluorophosphinic acid
CID 172772125
fluorophosphonic acid;dihydroiodide
CID 172705626
fluorophosphonic acid;zinc
CID 173113621
copper;fluorophosphonic acid
CID 173104152
alumane;fluorophosphonic acid
CID 173163644
fluorophosphonic acid;2,2,2-trifluoroacetic acid
CID 173131932
lithium;fluorophosphonic acid;fluoride
CID 158000068
alumane;azane;fluorophosphonic acid
CID 173036000
lithium;fluoro(hydroxy)phosphinate;fluorophosphonic acid;oxalic acid
CID 175045529
benzene;difluorophosphinic acid
CID 175464766
lithium;fluorophosphonic acid;hydride;vanadium
CID 173022638

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloroacetic acid;fluorophosphonic acid?
The IUPAC name of 2,2-dichloroacetic acid;fluorophosphonic acid (CID 88775325) is 2,2-dichloroacetic acid;fluorophosphonic acid.
What is the SMILES notation for 2,2-dichloroacetic acid;fluorophosphonic acid?
The canonical SMILES for 2,2-dichloroacetic acid;fluorophosphonic acid is O=C(O)C(Cl)Cl.O=P(O)(O)F.
What is the InChIKey of 2,2-dichloroacetic acid;fluorophosphonic acid?
The InChIKey is ICMJNZVGXODPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2Cl2O2.FH2O3P/c3-1(4)2(5)6;1-5(2,3)4/h1H,(H,5,6);(H2,2,3,4).
What are the key properties of 2,2-dichloroacetic acid;fluorophosphonic acid?
2,2-dichloroacetic acid;fluorophosphonic acid has a molecular weight of 228.93 g/mol, XLogP of 0.92, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloroacetic acid;fluorophosphonic acid is sourced from PubChem (CID 88775325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).