(3,4-difluorophenyl)methyl-triphenylphosphanium bromide

C25H20BrF2P — CID 10790485

IUPAC(3,4-difluorophenyl)methyl-triphenylphosphanium bromide
SMILESFc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1F.[Br-]
InChIInChI=1S/C25H20F2P.BrH/c26-24-17-16-20(18-25(24)27)19-28(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23;/h1-18H,19H2;1H/q+1;/p-1
InChIKeyFPNBDXVHCMGTHO-UHFFFAOYSA-M
MW469.31 g/mol
LogP2.46
Rot. Bonds5

About (3,4-difluorophenyl)methyl-triphenylphosphanium bromide

(3,4-difluorophenyl)methyl-triphenylphosphanium bromide (PubChem CID 10790485) has the molecular formula C25H20BrF2P and a molecular weight of 469.31 g/mol. Its IUPAC name is (3,4-difluorophenyl)methyl-triphenylphosphanium bromide.

Molecular Properties

Compound Name(3,4-difluorophenyl)methyl-triphenylphosphanium bromide
PubChem CID10790485
Molecular FormulaC25H20BrF2P
Molecular Weight469.31 g/mol
Exact Mass468.05
IUPAC Name(3,4-difluorophenyl)methyl-triphenylphosphanium bromide
SMILESFc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1F.[Br-]
InChIInChI=1S/C25H20F2P.BrH/c26-24-17-16-20(18-25(24)27)19-28(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23;/h1-18H,19H2;1H/q+1;/p-1
InChIKeyFPNBDXVHCMGTHO-UHFFFAOYSA-M
XLogP2.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.31
LogP ≤ 52.46
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

triphenyl-[(3,4,5-trifluorophenyl)methyl]phosphanium bromide
CID 22385338
(4-fluoro-3-methoxyphenyl)methyl-triphenylphosphanium bromide
CID 86613401
3-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenylmethyl(triphenyl)phosphanium
CID 88650870
triphenyl-[[7-(triphenylphosphaniumylmethyl)naphthalen-2-yl]methyl]phosphanium
CID 11051135
bis(benzyl(triphenyl)phosphanium) dichloride
CID 161237104
[2-chloro-4-(triphenylphosphaniumylmethyl)phenyl]methyl-triphenylphosphanium
CID 102469105
[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl-triphenylphosphanium
CID 172686491
arsane;benzyl(triphenyl)phosphanium;chloride
CID 174558543
benzyl(triphenyl)phosphanium;phosphane;iodide
CID 174958037
benzyl(triphenyl)phosphanium;manganese(2+);dichloride
CID 175569574
benzyl-(2-fluorophenyl)-diphenylphosphanium
CID 175757872
triphenyl-[[3-(trifluoromethyl)phenyl]methyl]phosphanium
CID 11114323

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)methyl-triphenylphosphanium bromide?
The IUPAC name of (3,4-difluorophenyl)methyl-triphenylphosphanium bromide (CID 10790485) is (3,4-difluorophenyl)methyl-triphenylphosphanium bromide.
What is the SMILES notation for (3,4-difluorophenyl)methyl-triphenylphosphanium bromide?
The canonical SMILES for (3,4-difluorophenyl)methyl-triphenylphosphanium bromide is Fc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1F.[Br-].
What is the InChIKey of (3,4-difluorophenyl)methyl-triphenylphosphanium bromide?
The InChIKey is FPNBDXVHCMGTHO-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H20F2P.BrH/c26-24-17-16-20(18-25(24)27)19-28(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23;/h1-18H,19H2;1H/q+1;/p-1.
What are the key properties of (3,4-difluorophenyl)methyl-triphenylphosphanium bromide?
(3,4-difluorophenyl)methyl-triphenylphosphanium bromide has a molecular weight of 469.31 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)methyl-triphenylphosphanium bromide is sourced from PubChem (CID 10790485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).