fluorophosphonic acid;2,2,2-trifluoroacetic acid

C2H13F9O20P6 — CID 173131932

IUPACfluorophosphonic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F
InChIInChI=1S/C2HF3O2.6FH2O3P/c3-2(4,5)1(6)7;6*1-5(2,3)4/h(H,6,7);6*(H2,2,3,4)
InChIKeyIYLWRNSNLJGYHK-UHFFFAOYSA-N
MW713.93 g/mol
LogP0.92
Rot. Bonds

About fluorophosphonic acid;2,2,2-trifluoroacetic acid

fluorophosphonic acid;2,2,2-trifluoroacetic acid (PubChem CID 173131932) has the molecular formula C2H13F9O20P6 and a molecular weight of 713.93 g/mol. Its IUPAC name is fluorophosphonic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namefluorophosphonic acid;2,2,2-trifluoroacetic acid
PubChem CID173131932
Molecular FormulaC2H13F9O20P6
Molecular Weight713.93 g/mol
Exact Mass713.83
IUPAC Namefluorophosphonic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F
InChIInChI=1S/C2HF3O2.6FH2O3P/c3-2(4,5)1(6)7;6*1-5(2,3)4/h(H,6,7);6*(H2,2,3,4)
InChIKeyIYLWRNSNLJGYHK-UHFFFAOYSA-N
XLogP0.92
TPSA382.48 Ų
H-Bond Donors13
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.93
LogP ≤ 50.92
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

phosphoric acid;2,2,2-trifluoroacetic acid
CID 87428965
oxalic acid;phosphoric acid;tris(2,2,2-trifluoroacetic acid)
CID 175180112
azane;tris(2,2,2-trifluoroacetic acid)
CID 175976837
erbium;tris(2,2,2-trifluoroacetic acid)
CID 118855690
azane;pentakis(2,2,2-trifluoroacetic acid)
CID 174693543
2,2,2-trifluoroacetic acid;trihydrofluoride
CID 171927516
CID 85392225
CID 85392225
sulfanium 2,2,2-trifluoroacetic acid
CID 158048002
bis(oxygen(2-));titanium(4+);2,2,2-trifluoroacetic acid
CID 157338255
magnesium;hydride;tris(2,2,2-trifluoroacetic acid)
CID 173424393
magnesium;hydride;bis(2,2,2-trifluoroacetic acid)
CID 173420344
CID 159010746
CID 159010746

Frequently Asked Questions

What is the IUPAC name of fluorophosphonic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of fluorophosphonic acid;2,2,2-trifluoroacetic acid (CID 173131932) is fluorophosphonic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for fluorophosphonic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for fluorophosphonic acid;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.
What is the InChIKey of fluorophosphonic acid;2,2,2-trifluoroacetic acid?
The InChIKey is IYLWRNSNLJGYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF3O2.6FH2O3P/c3-2(4,5)1(6)7;6*1-5(2,3)4/h(H,6,7);6*(H2,2,3,4).
What are the key properties of fluorophosphonic acid;2,2,2-trifluoroacetic acid?
fluorophosphonic acid;2,2,2-trifluoroacetic acid has a molecular weight of 713.93 g/mol, XLogP of 0.92, 0 rotatable bonds, 13 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for fluorophosphonic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 173131932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).