phosphoric acid;2,2,2-trifluoroacetic acid

C2H4F3O6P — CID 87428965

IUPACphosphoric acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=P(O)(O)O
InChIInChI=1S/C2HF3O2.H3O4P/c3-2(4,5)1(6)7;1-5(2,3)4/h(H,6,7);(H3,1,2,3,4)
InChIKeyBGCLRONERDQVIM-UHFFFAOYSA-N
MW212.02 g/mol
LogP-0.30
Rot. Bonds

About phosphoric acid;2,2,2-trifluoroacetic acid

phosphoric acid;2,2,2-trifluoroacetic acid (PubChem CID 87428965) has the molecular formula C2H4F3O6P and a molecular weight of 212.02 g/mol. Its IUPAC name is phosphoric acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namephosphoric acid;2,2,2-trifluoroacetic acid
PubChem CID87428965
Molecular FormulaC2H4F3O6P
Molecular Weight212.02 g/mol
Exact Mass211.97
IUPAC Namephosphoric acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=P(O)(O)O
InChIInChI=1S/C2HF3O2.H3O4P/c3-2(4,5)1(6)7;1-5(2,3)4/h(H,6,7);(H3,1,2,3,4)
InChIKeyBGCLRONERDQVIM-UHFFFAOYSA-N
XLogP-0.30
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.02
LogP ≤ 5-0.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phosphoric acid;2,2,2-trifluoroacetic acid?
The IUPAC name of phosphoric acid;2,2,2-trifluoroacetic acid (CID 87428965) is phosphoric acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for phosphoric acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for phosphoric acid;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=P(O)(O)O.
What is the InChIKey of phosphoric acid;2,2,2-trifluoroacetic acid?
The InChIKey is BGCLRONERDQVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF3O2.H3O4P/c3-2(4,5)1(6)7;1-5(2,3)4/h(H,6,7);(H3,1,2,3,4).
What are the key properties of phosphoric acid;2,2,2-trifluoroacetic acid?
phosphoric acid;2,2,2-trifluoroacetic acid has a molecular weight of 212.02 g/mol, XLogP of -0.30, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoric acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 87428965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).