oxo-(2,4,6-trifluorophenyl)phosphanium

C6H3F3OP+ — CID 154124883

IUPACoxo-(2,4,6-trifluorophenyl)phosphanium
SMILESO=[PH+]c1c(F)cc(F)cc1F
InChIInChI=1S/C6H2F3OP/c7-3-1-4(8)6(11-10)5(9)2-3/h1-2H/p+1
InChIKeyJUFSGFULLXQXOK-UHFFFAOYSA-O
MW179.06 g/mol
LogP1.75
Rot. Bonds1

About oxo-(2,4,6-trifluorophenyl)phosphanium

oxo-(2,4,6-trifluorophenyl)phosphanium (PubChem CID 154124883) has the molecular formula C6H3F3OP+ and a molecular weight of 179.06 g/mol. Its IUPAC name is oxo-(2,4,6-trifluorophenyl)phosphanium.

Molecular Properties

Compound Nameoxo-(2,4,6-trifluorophenyl)phosphanium
PubChem CID154124883
Molecular FormulaC6H3F3OP+
Molecular Weight179.06 g/mol
Exact Mass178.99
IUPAC Nameoxo-(2,4,6-trifluorophenyl)phosphanium
SMILESO=[PH+]c1c(F)cc(F)cc1F
InChIInChI=1S/C6H2F3OP/c7-3-1-4(8)6(11-10)5(9)2-3/h1-2H/p+1
InChIKeyJUFSGFULLXQXOK-UHFFFAOYSA-O
XLogP1.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.06
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 9745
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CID 15147
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CID 17762775
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CID 2785298
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CID 58262213
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CID 66796481
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CID 11040813
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CID 12670621
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CID 12670622
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Frequently Asked Questions

What is the IUPAC name of oxo-(2,4,6-trifluorophenyl)phosphanium?
The IUPAC name of oxo-(2,4,6-trifluorophenyl)phosphanium (CID 154124883) is oxo-(2,4,6-trifluorophenyl)phosphanium.
What is the SMILES notation for oxo-(2,4,6-trifluorophenyl)phosphanium?
The canonical SMILES for oxo-(2,4,6-trifluorophenyl)phosphanium is O=[PH+]c1c(F)cc(F)cc1F.
What is the InChIKey of oxo-(2,4,6-trifluorophenyl)phosphanium?
The InChIKey is JUFSGFULLXQXOK-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H2F3OP/c7-3-1-4(8)6(11-10)5(9)2-3/h1-2H/p+1.
What are the key properties of oxo-(2,4,6-trifluorophenyl)phosphanium?
oxo-(2,4,6-trifluorophenyl)phosphanium has a molecular weight of 179.06 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-(2,4,6-trifluorophenyl)phosphanium is sourced from PubChem (CID 154124883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).