oxophosphanium;2,2,2-trifluoroacetic acid

C2H3F3O3P+ — CID 175810301

IUPACoxophosphanium;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=[PH2+]
InChIInChI=1S/C2HF3O2.H2OP/c3-2(4,5)1(6)7;1-2/h(H,6,7);2H2/q;+1
InChIKeyOUZLRPSDZYWPKO-UHFFFAOYSA-N
MW163.01 g/mol
LogP0.84
Rot. Bonds

About oxophosphanium;2,2,2-trifluoroacetic acid

oxophosphanium;2,2,2-trifluoroacetic acid (PubChem CID 175810301) has the molecular formula C2H3F3O3P+ and a molecular weight of 163.01 g/mol. Its IUPAC name is oxophosphanium;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Nameoxophosphanium;2,2,2-trifluoroacetic acid
PubChem CID175810301
Molecular FormulaC2H3F3O3P+
Molecular Weight163.01 g/mol
Exact Mass162.98
IUPAC Nameoxophosphanium;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=[PH2+]
InChIInChI=1S/C2HF3O2.H2OP/c3-2(4,5)1(6)7;1-2/h(H,6,7);2H2/q;+1
InChIKeyOUZLRPSDZYWPKO-UHFFFAOYSA-N
XLogP0.84
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.01
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 88277177
CID 88277177
CID 158349057
CID 158349057
CID 158969701
CID 158969701

Frequently Asked Questions

What is the IUPAC name of oxophosphanium;2,2,2-trifluoroacetic acid?
The IUPAC name of oxophosphanium;2,2,2-trifluoroacetic acid (CID 175810301) is oxophosphanium;2,2,2-trifluoroacetic acid.
What is the SMILES notation for oxophosphanium;2,2,2-trifluoroacetic acid?
The canonical SMILES for oxophosphanium;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=[PH2+].
What is the InChIKey of oxophosphanium;2,2,2-trifluoroacetic acid?
The InChIKey is OUZLRPSDZYWPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF3O2.H2OP/c3-2(4,5)1(6)7;1-2/h(H,6,7);2H2/q;+1.
What are the key properties of oxophosphanium;2,2,2-trifluoroacetic acid?
oxophosphanium;2,2,2-trifluoroacetic acid has a molecular weight of 163.01 g/mol, XLogP of 0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxophosphanium;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175810301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).