phosphono 2,2,2-trifluoroacetate

C2H2F3O5P — CID 57464439

IUPACphosphono 2,2,2-trifluoroacetate
SMILESO=C(OP(=O)(O)O)C(F)(F)F
InChIInChI=1S/C2H2F3O5P/c3-2(4,5)1(6)10-11(7,8)9/h(H2,7,8,9)
InChIKeyGOFOLJGSPJQXCR-UHFFFAOYSA-N
MW194.00 g/mol
LogP0.18
Rot. Bonds1

About phosphono 2,2,2-trifluoroacetate

phosphono 2,2,2-trifluoroacetate (PubChem CID 57464439) has the molecular formula C2H2F3O5P and a molecular weight of 194.00 g/mol. Its IUPAC name is phosphono 2,2,2-trifluoroacetate.

Molecular Properties

Compound Namephosphono 2,2,2-trifluoroacetate
PubChem CID57464439
Molecular FormulaC2H2F3O5P
Molecular Weight194.00 g/mol
Exact Mass193.96
IUPAC Namephosphono 2,2,2-trifluoroacetate
SMILESO=C(OP(=O)(O)O)C(F)(F)F
InChIInChI=1S/C2H2F3O5P/c3-2(4,5)1(6)10-11(7,8)9/h(H2,7,8,9)
InChIKeyGOFOLJGSPJQXCR-UHFFFAOYSA-N
XLogP0.18
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.00
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,2,2-trifluoroacetyl) phosphate
CID 57464438
dimethylphosphoryl 2,2,2-trifluoroacetate
CID 154646257
3,3,3-trifluoroprop-1-en-2-yl dihydrogen phosphate
CID 101194809
1,1,1-trifluorobut-2-en-2-yl dihydrogen phosphate
CID 90860946
cyclohexane;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
CID 175538194
3-hydroxy-3-phosphonooxycarbonylpentanedioic acid
CID 174874733
phosphoric acid;2,2,2-trifluoroacetic acid
CID 87428965
hexacalcium;diphosphono carbonate;hydride
CID 173199692
phosphanyl 2,2,2-trifluoroacetate
CID 88670110
trifluoromethyl dihydrogen phosphate
CID 23129820
fluorophosphonic acid;2,2,2-trifluoroacetic acid
CID 173131932
Carbamic acid, monoanhydride with phosphoric acid, dilithium salt
CID 87130155

Frequently Asked Questions

What is the IUPAC name of phosphono 2,2,2-trifluoroacetate?
The IUPAC name of phosphono 2,2,2-trifluoroacetate (CID 57464439) is phosphono 2,2,2-trifluoroacetate.
What is the SMILES notation for phosphono 2,2,2-trifluoroacetate?
The canonical SMILES for phosphono 2,2,2-trifluoroacetate is O=C(OP(=O)(O)O)C(F)(F)F.
What is the InChIKey of phosphono 2,2,2-trifluoroacetate?
The InChIKey is GOFOLJGSPJQXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2F3O5P/c3-2(4,5)1(6)10-11(7,8)9/h(H2,7,8,9).
What are the key properties of phosphono 2,2,2-trifluoroacetate?
phosphono 2,2,2-trifluoroacetate has a molecular weight of 194.00 g/mol, XLogP of 0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phosphono 2,2,2-trifluoroacetate is sourced from PubChem (CID 57464439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).