[2-fluoro-4-(trifluoromethyl)phenyl]methyl-triphenylphosphanium

C26H20F4P+ — CID 158973128

IUPAC[2-fluoro-4-(trifluoromethyl)phenyl]methyl-triphenylphosphanium
SMILESFc1cc(C(F)(F)F)ccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H20F4P/c27-25-18-21(26(28,29)30)17-16-20(25)19-31(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-18H,19H2/q+1
InChIKeyJOBHXGXMOMZWJR-UHFFFAOYSA-N
MW439.41 g/mol
LogP6.34
Rot. Bonds5

About [2-fluoro-4-(trifluoromethyl)phenyl]methyl-triphenylphosphanium

[2-fluoro-4-(trifluoromethyl)phenyl]methyl-triphenylphosphanium (PubChem CID 158973128) has the molecular formula C26H20F4P+ and a molecular weight of 439.41 g/mol. Its IUPAC name is [2-fluoro-4-(trifluoromethyl)phenyl]methyl-triphenylphosphanium.

Molecular Properties

Compound Name[2-fluoro-4-(trifluoromethyl)phenyl]methyl-triphenylphosphanium
PubChem CID158973128
Molecular FormulaC26H20F4P+
Molecular Weight439.41 g/mol
Exact Mass439.12
IUPAC Name[2-fluoro-4-(trifluoromethyl)phenyl]methyl-triphenylphosphanium
SMILESFc1cc(C(F)(F)F)ccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H20F4P/c27-25-18-21(26(28,29)30)17-16-20(25)19-31(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-18H,19H2/q+1
InChIKeyJOBHXGXMOMZWJR-UHFFFAOYSA-N
XLogP6.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.41
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Benzyltriphenylphosphonium chloride
CID 70671
Phosphonium, ((4-methylphenyl)methyl)triphenyl-, bromide (1:1)
CID 11797662
Phosphine, tris(phenylmethyl)-
CID 82101
Phosphonium, ((4-methylphenyl)methyl)triphenyl-, chloride (1:1)
CID 150925
Benzyltriphenylphosphonium bromide
CID 2734970
Triphenyl(3-phenylpropyl)phosphonium bromide
CID 500003
Bis[4-(3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl)phenyl]phenylphosphine
CID 10653392
Tris[4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phenyl]phosphine
CID 11040538
[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl)phenyl] diphenylphosphine
CID 11422653
Tris(4-(tridecafluorohexyl)phenyl)phosphine
CID 11967679
Bis[4-(1H,1H,2H,2H-perfluorodecyl)phenyl]phenylphosphine
CID 11983699
Phosphonium, triphenyl(3-phenyl-2-propen-1-yl)-, chloride (1:1)
CID 6436301

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-(trifluoromethyl)phenyl]methyl-triphenylphosphanium?
The IUPAC name of [2-fluoro-4-(trifluoromethyl)phenyl]methyl-triphenylphosphanium (CID 158973128) is [2-fluoro-4-(trifluoromethyl)phenyl]methyl-triphenylphosphanium.
What is the SMILES notation for [2-fluoro-4-(trifluoromethyl)phenyl]methyl-triphenylphosphanium?
The canonical SMILES for [2-fluoro-4-(trifluoromethyl)phenyl]methyl-triphenylphosphanium is Fc1cc(C(F)(F)F)ccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-fluoro-4-(trifluoromethyl)phenyl]methyl-triphenylphosphanium?
The InChIKey is JOBHXGXMOMZWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F4P/c27-25-18-21(26(28,29)30)17-16-20(25)19-31(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-18H,19H2/q+1.
What are the key properties of [2-fluoro-4-(trifluoromethyl)phenyl]methyl-triphenylphosphanium?
[2-fluoro-4-(trifluoromethyl)phenyl]methyl-triphenylphosphanium has a molecular weight of 439.41 g/mol, XLogP of 6.34, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-(trifluoromethyl)phenyl]methyl-triphenylphosphanium is sourced from PubChem (CID 158973128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).