(2-chloro-1-fluoro-2-oxoethyl)phosphonic acid

C2H3ClFO4P — CID 90282589

IUPAC(2-chloro-1-fluoro-2-oxoethyl)phosphonic acid
SMILESO=C(Cl)C(F)P(=O)(O)O
InChIInChI=1S/C2H3ClFO4P/c3-1(5)2(4)9(6,7)8/h2H,(H2,6,7,8)
InChIKeyGXEIVLYPZIZATJ-UHFFFAOYSA-N
MW176.47 g/mol
LogP0.23
Rot. Bonds2

About (2-chloro-1-fluoro-2-oxoethyl)phosphonic acid

(2-chloro-1-fluoro-2-oxoethyl)phosphonic acid (PubChem CID 90282589) has the molecular formula C2H3ClFO4P and a molecular weight of 176.47 g/mol. Its IUPAC name is (2-chloro-1-fluoro-2-oxoethyl)phosphonic acid.

Molecular Properties

Compound Name(2-chloro-1-fluoro-2-oxoethyl)phosphonic acid
PubChem CID90282589
Molecular FormulaC2H3ClFO4P
Molecular Weight176.47 g/mol
Exact Mass175.94
IUPAC Name(2-chloro-1-fluoro-2-oxoethyl)phosphonic acid
SMILESO=C(Cl)C(F)P(=O)(O)O
InChIInChI=1S/C2H3ClFO4P/c3-1(5)2(4)9(6,7)8/h2H,(H2,6,7,8)
InChIKeyGXEIVLYPZIZATJ-UHFFFAOYSA-N
XLogP0.23
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.47
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1-fluoro-3-methyl-2-oxobutyl)phosphonic acid
CID 87462670
2,2-difluoroacetyl chloride;hydrochloride
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phosphoric acid;tetrafluorophosphanium
CID 175988540
2,2-dichloroacetic acid;fluorophosphonic acid
CID 88775325
3,3-difluoro-2-sulfanylpropanoyl chloride
CID 88524148
methyl 2-dimethylphosphoryl-2-fluoroacetate
CID 90854286
dihydroxymethylphosphonic acid
CID 13034651
1-fluoroprop-2-ynylphosphonic acid
CID 54364865
[fluoro-[hydroxy(propyl)phosphoryl]methyl]phosphonic acid
CID 58756569
[(2R)-3-amino-2-fluoropropyl]phosphonic acid
CID 122184355
carbonic acid;difluorophosphinic acid
CID 172772125
difluoromethyl(phosphono)azanide
CID 149253138

Frequently Asked Questions

What is the IUPAC name of (2-chloro-1-fluoro-2-oxoethyl)phosphonic acid?
The IUPAC name of (2-chloro-1-fluoro-2-oxoethyl)phosphonic acid (CID 90282589) is (2-chloro-1-fluoro-2-oxoethyl)phosphonic acid.
What is the SMILES notation for (2-chloro-1-fluoro-2-oxoethyl)phosphonic acid?
The canonical SMILES for (2-chloro-1-fluoro-2-oxoethyl)phosphonic acid is O=C(Cl)C(F)P(=O)(O)O.
What is the InChIKey of (2-chloro-1-fluoro-2-oxoethyl)phosphonic acid?
The InChIKey is GXEIVLYPZIZATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3ClFO4P/c3-1(5)2(4)9(6,7)8/h2H,(H2,6,7,8).
What are the key properties of (2-chloro-1-fluoro-2-oxoethyl)phosphonic acid?
(2-chloro-1-fluoro-2-oxoethyl)phosphonic acid has a molecular weight of 176.47 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-1-fluoro-2-oxoethyl)phosphonic acid is sourced from PubChem (CID 90282589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).