2-(2-bromo-4-fluorophenyl)ethyl-triphenylphosphanium

C26H22BrFP+ — CID 118307107

IUPAC2-(2-bromo-4-fluorophenyl)ethyl-triphenylphosphanium
SMILESFc1ccc(CC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(Br)c1
InChIInChI=1S/C26H22BrFP/c27-26-20-22(28)17-16-21(26)18-19-29(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-17,20H,18-19H2/q+1
InChIKeyMVMXZILLRMBVRN-UHFFFAOYSA-N
MW464.34 g/mol
LogP6.12
Rot. Bonds6

About 2-(2-bromo-4-fluorophenyl)ethyl-triphenylphosphanium

2-(2-bromo-4-fluorophenyl)ethyl-triphenylphosphanium (PubChem CID 118307107) has the molecular formula C26H22BrFP+ and a molecular weight of 464.34 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)ethyl-triphenylphosphanium.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)ethyl-triphenylphosphanium
PubChem CID118307107
Molecular FormulaC26H22BrFP+
Molecular Weight464.34 g/mol
Exact Mass463.06
IUPAC Name2-(2-bromo-4-fluorophenyl)ethyl-triphenylphosphanium
SMILESFc1ccc(CC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(Br)c1
InChIInChI=1S/C26H22BrFP/c27-26-20-22(28)17-16-21(26)18-19-29(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-17,20H,18-19H2/q+1
InChIKeyMVMXZILLRMBVRN-UHFFFAOYSA-N
XLogP6.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.34
LogP ≤ 56.12
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

2-bromo-1-(4-bromopentyl)-4-fluorobenzene
CID 64508019
2-bromo-1-(3-bromopropyl)-4-fluorobenzene
CID 62604582
4-(2-bromo-4-fluorophenyl)-N-ethyl-1-phenylbutan-1-amine
CID 64501827
1-(2-bromo-4-fluorophenyl)hexan-3-amine
CID 43370453
2-bromo-1-(3-bromo-4-methoxybutyl)-4-fluorobenzene
CID 62318931
4-(2-bromo-4-fluorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 64665424
1-bromo-2-(3-bromo-3-phenylpropyl)-4-fluorobenzene
CID 55192636
N-[2-(2-bromo-4-fluorophenyl)-1-phenylethyl]propan-1-amine
CID 63413016
1-(2-bromo-4-fluorophenyl)-N-ethylhexan-3-amine
CID 60996816
palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium
CID 87290696
1-(2-bromo-4-fluorophenyl)-3-phenoxypropan-2-amine
CID 62717569
2-bromo-4-fluoro-1-[(2-methylphenyl)sulfanylmethyl]benzene
CID 55191860

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)ethyl-triphenylphosphanium?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)ethyl-triphenylphosphanium (CID 118307107) is 2-(2-bromo-4-fluorophenyl)ethyl-triphenylphosphanium.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)ethyl-triphenylphosphanium?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)ethyl-triphenylphosphanium is Fc1ccc(CC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)ethyl-triphenylphosphanium?
The InChIKey is MVMXZILLRMBVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22BrFP/c27-26-20-22(28)17-16-21(26)18-19-29(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-17,20H,18-19H2/q+1.
What are the key properties of 2-(2-bromo-4-fluorophenyl)ethyl-triphenylphosphanium?
2-(2-bromo-4-fluorophenyl)ethyl-triphenylphosphanium has a molecular weight of 464.34 g/mol, XLogP of 6.12, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenyl)ethyl-triphenylphosphanium is sourced from PubChem (CID 118307107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).