(2-bromophenyl)-[(3-fluorophenyl)methyl]-diphenylphosphanium

C25H20BrFP+ — CID 87488670

IUPAC(2-bromophenyl)-[(3-fluorophenyl)methyl]-diphenylphosphanium
SMILESFc1cccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2Br)c1
InChIInChI=1S/C25H20BrFP/c26-24-16-7-8-17-25(24)28(22-12-3-1-4-13-22,23-14-5-2-6-15-23)19-20-10-9-11-21(27)18-20/h1-18H,19H2/q+1
InChIKeyOLPMEIGTTKOAKF-UHFFFAOYSA-N
MW450.31 g/mol
LogP6.08
Rot. Bonds5

About (2-bromophenyl)-[(3-fluorophenyl)methyl]-diphenylphosphanium

(2-bromophenyl)-[(3-fluorophenyl)methyl]-diphenylphosphanium (PubChem CID 87488670) has the molecular formula C25H20BrFP+ and a molecular weight of 450.31 g/mol. Its IUPAC name is (2-bromophenyl)-[(3-fluorophenyl)methyl]-diphenylphosphanium.

Molecular Properties

Compound Name(2-bromophenyl)-[(3-fluorophenyl)methyl]-diphenylphosphanium
PubChem CID87488670
Molecular FormulaC25H20BrFP+
Molecular Weight450.31 g/mol
Exact Mass449.05
IUPAC Name(2-bromophenyl)-[(3-fluorophenyl)methyl]-diphenylphosphanium
SMILESFc1cccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2Br)c1
InChIInChI=1S/C25H20BrFP/c26-24-16-7-8-17-25(24)28(22-12-3-1-4-13-22,23-14-5-2-6-15-23)19-20-10-9-11-21(27)18-20/h1-18H,19H2/q+1
InChIKeyOLPMEIGTTKOAKF-UHFFFAOYSA-N
XLogP6.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.31
LogP ≤ 56.08
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-(2-benzyl-3-bromopropyl)-3-fluorobenzene
CID 66047635
(3-bromophenyl)methyl-triphenylphosphanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 139734694
benzyl-[2-[2-(4-fluorophenyl)ethyl]phenyl]-diphenylphosphanium
CID 172713249
1-(2,2-dibromoethyl)-3-fluorobenzene
CID 89414969
ethyl-(3-fluorophenyl)-diphenylphosphanium
CID 174725265
1-(2-bromo-6-fluorophenyl)-2-(3-fluorophenyl)ethanamine
CID 114559896
N-[1-(2-bromophenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine
CID 114828576
2-(2-bromophenyl)-3-(3-fluorophenyl)-N-propylpropan-1-amine
CID 79436436
1-(2-bromo-3,3-dimethylbutyl)-3-fluorobenzene
CID 63543994
benzyl-(2-methoxyphenyl)-diphenylphosphanium hexafluorophosphate
CID 174642384
1-bromo-2-[1-chloro-2-(3-fluorophenyl)ethyl]-4-fluorobenzene
CID 63543533
(3-ethenylphenyl)methyl-triphenylphosphanium
CID 22627875

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-[(3-fluorophenyl)methyl]-diphenylphosphanium?
The IUPAC name of (2-bromophenyl)-[(3-fluorophenyl)methyl]-diphenylphosphanium (CID 87488670) is (2-bromophenyl)-[(3-fluorophenyl)methyl]-diphenylphosphanium.
What is the SMILES notation for (2-bromophenyl)-[(3-fluorophenyl)methyl]-diphenylphosphanium?
The canonical SMILES for (2-bromophenyl)-[(3-fluorophenyl)methyl]-diphenylphosphanium is Fc1cccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2Br)c1.
What is the InChIKey of (2-bromophenyl)-[(3-fluorophenyl)methyl]-diphenylphosphanium?
The InChIKey is OLPMEIGTTKOAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20BrFP/c26-24-16-7-8-17-25(24)28(22-12-3-1-4-13-22,23-14-5-2-6-15-23)19-20-10-9-11-21(27)18-20/h1-18H,19H2/q+1.
What are the key properties of (2-bromophenyl)-[(3-fluorophenyl)methyl]-diphenylphosphanium?
(2-bromophenyl)-[(3-fluorophenyl)methyl]-diphenylphosphanium has a molecular weight of 450.31 g/mol, XLogP of 6.08, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-[(3-fluorophenyl)methyl]-diphenylphosphanium is sourced from PubChem (CID 87488670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).