triphenyl-[[3-(trifluoromethyl)phenyl]methyl]phosphanium

C26H21F3P+ — CID 11114323

IUPACtriphenyl-[[3-(trifluoromethyl)phenyl]methyl]phosphanium
SMILESFC(F)(F)c1cccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C26H21F3P/c27-26(28,29)22-12-10-11-21(19-22)20-30(23-13-4-1-5-14-23,24-15-6-2-7-16-24)25-17-8-3-9-18-25/h1-19H,20H2/q+1
InChIKeyBRARWRJMPVMTPW-UHFFFAOYSA-N
MW421.42 g/mol
LogP6.20
Rot. Bonds5

About triphenyl-[[3-(trifluoromethyl)phenyl]methyl]phosphanium

triphenyl-[[3-(trifluoromethyl)phenyl]methyl]phosphanium (PubChem CID 11114323) has the molecular formula C26H21F3P+ and a molecular weight of 421.42 g/mol. Its IUPAC name is triphenyl-[[3-(trifluoromethyl)phenyl]methyl]phosphanium.

Molecular Properties

Compound Nametriphenyl-[[3-(trifluoromethyl)phenyl]methyl]phosphanium
PubChem CID11114323
Molecular FormulaC26H21F3P+
Molecular Weight421.42 g/mol
Exact Mass421.13
IUPAC Nametriphenyl-[[3-(trifluoromethyl)phenyl]methyl]phosphanium
SMILESFC(F)(F)c1cccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C26H21F3P/c27-26(28,29)22-12-10-11-21(19-22)20-30(23-13-4-1-5-14-23,24-15-6-2-7-16-24)25-17-8-3-9-18-25/h1-19H,20H2/q+1
InChIKeyBRARWRJMPVMTPW-UHFFFAOYSA-N
XLogP6.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.42
LogP ≤ 56.20
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

1-phenyl-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 63412549
[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl-triphenylphosphanium
CID 172686491
1-(2-benzyl-3-chloropropyl)-3-(trifluoromethyl)benzene
CID 66033607
1-(2-chloro-2-phenylethyl)-3-(trifluoromethyl)benzene
CID 4737547
[2-fluoro-4-(trifluoromethyl)phenyl]methyl-triphenylphosphanium
CID 158973128
bis(benzyl(triphenyl)phosphanium) dichloride
CID 161237104
[3-(chloromethyl)phenyl]methyl-triphenylphosphanium chloride
CID 19744545
benzyl(triphenyl)phosphanium;manganese(2+);dichloride
CID 175569574
1-(2-bromopropyl)-3-(trifluoromethyl)benzene
CID 14025642
[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium
CID 38988975
1-(2-iodopropyl)-3-(trifluoromethyl)benzene
CID 135032501
(2S)-1,1,1-trifluoro-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 96706913

Frequently Asked Questions

What is the IUPAC name of triphenyl-[[3-(trifluoromethyl)phenyl]methyl]phosphanium?
The IUPAC name of triphenyl-[[3-(trifluoromethyl)phenyl]methyl]phosphanium (CID 11114323) is triphenyl-[[3-(trifluoromethyl)phenyl]methyl]phosphanium.
What is the SMILES notation for triphenyl-[[3-(trifluoromethyl)phenyl]methyl]phosphanium?
The canonical SMILES for triphenyl-[[3-(trifluoromethyl)phenyl]methyl]phosphanium is FC(F)(F)c1cccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of triphenyl-[[3-(trifluoromethyl)phenyl]methyl]phosphanium?
The InChIKey is BRARWRJMPVMTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3P/c27-26(28,29)22-12-10-11-21(19-22)20-30(23-13-4-1-5-14-23,24-15-6-2-7-16-24)25-17-8-3-9-18-25/h1-19H,20H2/q+1.
What are the key properties of triphenyl-[[3-(trifluoromethyl)phenyl]methyl]phosphanium?
triphenyl-[[3-(trifluoromethyl)phenyl]methyl]phosphanium has a molecular weight of 421.42 g/mol, XLogP of 6.20, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[[3-(trifluoromethyl)phenyl]methyl]phosphanium is sourced from PubChem (CID 11114323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).