phenylphosphanium;2,2,2-trifluoroacetate

C8H8F3O2P — CID 162300055

IUPACphenylphosphanium;2,2,2-trifluoroacetate
SMILESO=C([O-])C(F)(F)F.[PH3+]c1ccccc1
InChIInChI=1S/C6H7P.C2HF3O2/c7-6-4-2-1-3-5-6;3-2(4,5)1(6)7/h1-5H,7H2;(H,6,7)
InChIKeyPAXSAIRILAEGHW-UHFFFAOYSA-N
MW224.12 g/mol
LogP0.22
Rot. Bonds

About phenylphosphanium;2,2,2-trifluoroacetate

phenylphosphanium;2,2,2-trifluoroacetate (PubChem CID 162300055) has the molecular formula C8H8F3O2P and a molecular weight of 224.12 g/mol. Its IUPAC name is phenylphosphanium;2,2,2-trifluoroacetate.

Molecular Properties

Compound Namephenylphosphanium;2,2,2-trifluoroacetate
PubChem CID162300055
Molecular FormulaC8H8F3O2P
Molecular Weight224.12 g/mol
Exact Mass224.02
IUPAC Namephenylphosphanium;2,2,2-trifluoroacetate
SMILESO=C([O-])C(F)(F)F.[PH3+]c1ccccc1
InChIInChI=1S/C6H7P.C2HF3O2/c7-6-4-2-1-3-5-6;3-2(4,5)1(6)7/h1-5H,7H2;(H,6,7)
InChIKeyPAXSAIRILAEGHW-UHFFFAOYSA-N
XLogP0.22
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.12
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Phenylmercuric Acetate
CID 16682730
Bis(trifluoroacetoxy)iodobenzene
CID 102317
Acetoxy phenylmercury
CID 9905811
(Triphenylphosphonio)difluoroacetate
CID 71812679
Diphenyl((trifluoroacetyl)oxy)bismuthine
CID 16683122
Phenylmercury trifluoroacetate
CID 16683863
Phenylthallium bis(trifluoroacetate)
CID 16685697
4-Fluorophenylbis(trifluoroacetoxy) iodine(III)
CID 14290169
Benzeneselenyl trifluoroacetate
CID 4186627
Ethyl 2,2-difluoro-2-(phenylselanyl)acetate
CID 11471472
Benzenetellurinyl trifluoroacetate
CID 13837735
Diphenyliodonium trifluoroacetate
CID 14936373

Frequently Asked Questions

What is the IUPAC name of phenylphosphanium;2,2,2-trifluoroacetate?
The IUPAC name of phenylphosphanium;2,2,2-trifluoroacetate (CID 162300055) is phenylphosphanium;2,2,2-trifluoroacetate.
What is the SMILES notation for phenylphosphanium;2,2,2-trifluoroacetate?
The canonical SMILES for phenylphosphanium;2,2,2-trifluoroacetate is O=C([O-])C(F)(F)F.[PH3+]c1ccccc1.
What is the InChIKey of phenylphosphanium;2,2,2-trifluoroacetate?
The InChIKey is PAXSAIRILAEGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7P.C2HF3O2/c7-6-4-2-1-3-5-6;3-2(4,5)1(6)7/h1-5H,7H2;(H,6,7).
What are the key properties of phenylphosphanium;2,2,2-trifluoroacetate?
phenylphosphanium;2,2,2-trifluoroacetate has a molecular weight of 224.12 g/mol, XLogP of 0.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenylphosphanium;2,2,2-trifluoroacetate is sourced from PubChem (CID 162300055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).