bromo-[(2-bromo-5-fluorophenyl)methyl]-triphenyl-lambda5-phosphane

C25H20Br2FP — CID 13426565

IUPACbromo-[(2-bromo-5-fluorophenyl)methyl]-triphenyl-lambda5-phosphane
SMILESFc1ccc(Br)c(CP(Br)(c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C25H20Br2FP/c26-25-17-16-21(28)18-20(25)19-29(27,22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-18H,19H2
InChIKeyPZCICNWMPXXVHF-UHFFFAOYSA-N
MW530.22 g/mol
LogP6.93
Rot. Bonds5

About bromo-[(2-bromo-5-fluorophenyl)methyl]-triphenyl-lambda5-phosphane

bromo-[(2-bromo-5-fluorophenyl)methyl]-triphenyl-lambda5-phosphane (PubChem CID 13426565) has the molecular formula C25H20Br2FP and a molecular weight of 530.22 g/mol. Its IUPAC name is bromo-[(2-bromo-5-fluorophenyl)methyl]-triphenyl-lambda5-phosphane.

Molecular Properties

Compound Namebromo-[(2-bromo-5-fluorophenyl)methyl]-triphenyl-lambda5-phosphane
PubChem CID13426565
Molecular FormulaC25H20Br2FP
Molecular Weight530.22 g/mol
Exact Mass527.97
IUPAC Namebromo-[(2-bromo-5-fluorophenyl)methyl]-triphenyl-lambda5-phosphane
SMILESFc1ccc(Br)c(CP(Br)(c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C25H20Br2FP/c26-25-17-16-21(28)18-20(25)19-29(27,22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-18H,19H2
InChIKeyPZCICNWMPXXVHF-UHFFFAOYSA-N
XLogP6.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.22
LogP ≤ 56.93
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

bromo-[[2-[2-[[bromo(triphenyl)-λ5-phosphanyl]methyl]phenoxy]phenyl]methyl]-triphenyl-λ5-phosphane
CID 134869477
1-bromo-2-(3-bromo-3-phenylpropyl)-4-fluorobenzene
CID 55192636
3-(2-bromo-5-fluorophenyl)-2-methyl-1-phenylpropan-1-ol
CID 104846213
1-(2-bromo-5-fluorophenyl)-3-phenylpropan-2-ol
CID 62607777
2-[(2-bromo-5-fluorophenyl)methyl]-1,3-dihydroinden-2-amine
CID 62621612
1-bromo-4-fluoro-2-(2-iodoethyl)benzene
CID 129177229
3-[(2-bromo-5-fluorophenyl)methyl]-3-fluoroazetidine
CID 112563367
1-bromo-2-[2-(bromomethyl)-3-(2-bromophenyl)propyl]-4-fluorobenzene
CID 66041556
2-[(2-bromo-5-fluorophenyl)methyl]-1,3-dihydroindene-2-carboxylic acid
CID 65409108
1-[(2-bromo-5-fluorophenyl)methyl]cyclopropan-1-ol
CID 117364001
N-[(2-bromo-5-fluorophenyl)methyl]-2-phenylpropan-1-amine
CID 63452893
1-(2-bromo-5-fluorophenyl)-3-phenylbutan-2-ol
CID 65149561

Frequently Asked Questions

What is the IUPAC name of bromo-[(2-bromo-5-fluorophenyl)methyl]-triphenyl-lambda5-phosphane?
The IUPAC name of bromo-[(2-bromo-5-fluorophenyl)methyl]-triphenyl-lambda5-phosphane (CID 13426565) is bromo-[(2-bromo-5-fluorophenyl)methyl]-triphenyl-lambda5-phosphane.
What is the SMILES notation for bromo-[(2-bromo-5-fluorophenyl)methyl]-triphenyl-lambda5-phosphane?
The canonical SMILES for bromo-[(2-bromo-5-fluorophenyl)methyl]-triphenyl-lambda5-phosphane is Fc1ccc(Br)c(CP(Br)(c2ccccc2)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of bromo-[(2-bromo-5-fluorophenyl)methyl]-triphenyl-lambda5-phosphane?
The InChIKey is PZCICNWMPXXVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Br2FP/c26-25-17-16-21(28)18-20(25)19-29(27,22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-18H,19H2.
What are the key properties of bromo-[(2-bromo-5-fluorophenyl)methyl]-triphenyl-lambda5-phosphane?
bromo-[(2-bromo-5-fluorophenyl)methyl]-triphenyl-lambda5-phosphane has a molecular weight of 530.22 g/mol, XLogP of 6.93, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-[(2-bromo-5-fluorophenyl)methyl]-triphenyl-lambda5-phosphane is sourced from PubChem (CID 13426565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).