oxalic acid;phosphoric acid;tris(2,2,2-trifluoroacetic acid)

C8H8F9O14P — CID 175180112

IUPACoxalic acid;phosphoric acid;tris(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(=O)O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=P(O)(O)O
InChIInChI=1S/3C2HF3O2.C2H2O4.H3O4P/c3*3-2(4,5)1(6)7;3-1(4)2(5)6;1-5(2,3)4/h3*(H,6,7);(H,3,4)(H,5,6);(H3,1,2,3,4)
InChIKeyTWKRYNXSRNHPBS-UHFFFAOYSA-N
MW530.09 g/mol
LogP0.13
Rot. Bonds

About oxalic acid;phosphoric acid;tris(2,2,2-trifluoroacetic acid)

oxalic acid;phosphoric acid;tris(2,2,2-trifluoroacetic acid) (PubChem CID 175180112) has the molecular formula C8H8F9O14P and a molecular weight of 530.09 g/mol. Its IUPAC name is oxalic acid;phosphoric acid;tris(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Nameoxalic acid;phosphoric acid;tris(2,2,2-trifluoroacetic acid)
PubChem CID175180112
Molecular FormulaC8H8F9O14P
Molecular Weight530.09 g/mol
Exact Mass529.95
IUPAC Nameoxalic acid;phosphoric acid;tris(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(=O)O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=P(O)(O)O
InChIInChI=1S/3C2HF3O2.C2H2O4.H3O4P/c3*3-2(4,5)1(6)7;3-1(4)2(5)6;1-5(2,3)4/h3*(H,6,7);(H,3,4)(H,5,6);(H3,1,2,3,4)
InChIKeyTWKRYNXSRNHPBS-UHFFFAOYSA-N
XLogP0.13
TPSA264.26 Ų
H-Bond Donors8
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.09
LogP ≤ 50.13
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

phosphoric acid;2,2,2-trifluoroacetic acid
CID 87428965
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CID 173131932
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sulfanium 2,2,2-trifluoroacetic acid
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erbium;tris(2,2,2-trifluoroacetic acid)
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azane;pentakis(2,2,2-trifluoroacetic acid)
CID 174693543
2,2,2-trifluoroacetic acid;trihydrofluoride
CID 171927516
CID 85392225
CID 85392225
copper;2,2,2-trifluoroacetic acid;tetrahydrate
CID 175128506
bis(oxygen(2-));titanium(4+);2,2,2-trifluoroacetic acid
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CID 159010746
CID 159010746

Frequently Asked Questions

What is the IUPAC name of oxalic acid;phosphoric acid;tris(2,2,2-trifluoroacetic acid)?
The IUPAC name of oxalic acid;phosphoric acid;tris(2,2,2-trifluoroacetic acid) (CID 175180112) is oxalic acid;phosphoric acid;tris(2,2,2-trifluoroacetic acid).
What is the SMILES notation for oxalic acid;phosphoric acid;tris(2,2,2-trifluoroacetic acid)?
The canonical SMILES for oxalic acid;phosphoric acid;tris(2,2,2-trifluoroacetic acid) is O=C(O)C(=O)O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=P(O)(O)O.
What is the InChIKey of oxalic acid;phosphoric acid;tris(2,2,2-trifluoroacetic acid)?
The InChIKey is TWKRYNXSRNHPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2HF3O2.C2H2O4.H3O4P/c3*3-2(4,5)1(6)7;3-1(4)2(5)6;1-5(2,3)4/h3*(H,6,7);(H,3,4)(H,5,6);(H3,1,2,3,4).
What are the key properties of oxalic acid;phosphoric acid;tris(2,2,2-trifluoroacetic acid)?
oxalic acid;phosphoric acid;tris(2,2,2-trifluoroacetic acid) has a molecular weight of 530.09 g/mol, XLogP of 0.13, 0 rotatable bonds, 8 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;phosphoric acid;tris(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 175180112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).