ethoxy-(2-fluoroacetyl)phosphinic acid

C4H8FO4P — CID 19807274

IUPACethoxy-(2-fluoroacetyl)phosphinic acid
SMILESCCOP(=O)(O)C(=O)CF
InChIInChI=1S/C4H8FO4P/c1-2-9-10(7,8)4(6)3-5/h2-3H2,1H3,(H,7,8)
InChIKeyXAFFGGNLEXOFHW-UHFFFAOYSA-N
MW170.08 g/mol
LogP0.70
Rot. Bonds4

About ethoxy-(2-fluoroacetyl)phosphinic acid

ethoxy-(2-fluoroacetyl)phosphinic acid (PubChem CID 19807274) has the molecular formula C4H8FO4P and a molecular weight of 170.08 g/mol. Its IUPAC name is ethoxy-(2-fluoroacetyl)phosphinic acid.

Molecular Properties

Compound Nameethoxy-(2-fluoroacetyl)phosphinic acid
PubChem CID19807274
Molecular FormulaC4H8FO4P
Molecular Weight170.08 g/mol
Exact Mass170.01
IUPAC Nameethoxy-(2-fluoroacetyl)phosphinic acid
SMILESCCOP(=O)(O)C(=O)CF
InChIInChI=1S/C4H8FO4P/c1-2-9-10(7,8)4(6)3-5/h2-3H2,1H3,(H,7,8)
InChIKeyXAFFGGNLEXOFHW-UHFFFAOYSA-N
XLogP0.70
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.08
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diethyl acetylphosphonate
CID 522997
Dimethyl acetylphosphonate
CID 2785315
Phosphonic acid, (fluoromethyl)-, diethyl ester
CID 178918
Acetyl(ethoxy)phosphinic acid
CID 20532313
Butyl hydrogen acetylphosphonate
CID 76685170
Lithium acetyl(ethoxy)phosphinate
CID 90667331
2-Diethoxyphosphoryl-2-fluoroacetaldehyde
CID 89169594
1-Diethoxyphosphoryl-2,2,2-trifluoroethanone
CID 13179229
1-Diethoxyphosphoryl-2-fluoroethanone
CID 88427854
Diethyl 1-fluoroethyl phosphate
CID 118036853
Diethyl 2-fluoroethyl phosphate
CID 118036854
2-Fluoroethyl methyl hydrogen phosphate
CID 121312932

Frequently Asked Questions

What is the IUPAC name of ethoxy-(2-fluoroacetyl)phosphinic acid?
The IUPAC name of ethoxy-(2-fluoroacetyl)phosphinic acid (CID 19807274) is ethoxy-(2-fluoroacetyl)phosphinic acid.
What is the SMILES notation for ethoxy-(2-fluoroacetyl)phosphinic acid?
The canonical SMILES for ethoxy-(2-fluoroacetyl)phosphinic acid is CCOP(=O)(O)C(=O)CF.
What is the InChIKey of ethoxy-(2-fluoroacetyl)phosphinic acid?
The InChIKey is XAFFGGNLEXOFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FO4P/c1-2-9-10(7,8)4(6)3-5/h2-3H2,1H3,(H,7,8).
What are the key properties of ethoxy-(2-fluoroacetyl)phosphinic acid?
ethoxy-(2-fluoroacetyl)phosphinic acid has a molecular weight of 170.08 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-(2-fluoroacetyl)phosphinic acid is sourced from PubChem (CID 19807274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).