benzyl-bromo-[(4-fluorophenyl)methyl]-diphenyl-λ5-phosphane

C26H23BrFP — CID 84820250

IUPACbenzyl-bromo-[(4-fluorophenyl)methyl]-diphenyl-λ5-phosphane
SMILESFc1ccc(CP(Br)(Cc2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H23BrFP/c27-29(25-12-6-2-7-13-25,26-14-8-3-9-15-26,20-22-10-4-1-5-11-22)21-23-16-18-24(28)19-17-23/h1-19H,20-21H2
InChIKeyUCPPVUKOFBEZTM-UHFFFAOYSA-N
MW465.35 g/mol
LogP7.04
Rot. Bonds6

About benzyl-bromo-[(4-fluorophenyl)methyl]-diphenyl-λ5-phosphane

benzyl-bromo-[(4-fluorophenyl)methyl]-diphenyl-λ5-phosphane (PubChem CID 84820250) has the molecular formula C26H23BrFP and a molecular weight of 465.35 g/mol. Its IUPAC name is benzyl-bromo-[(4-fluorophenyl)methyl]-diphenyl-λ5-phosphane.

Molecular Properties

Compound Namebenzyl-bromo-[(4-fluorophenyl)methyl]-diphenyl-λ5-phosphane
PubChem CID84820250
Molecular FormulaC26H23BrFP
Molecular Weight465.35 g/mol
Exact Mass464.07
IUPAC Namebenzyl-bromo-[(4-fluorophenyl)methyl]-diphenyl-λ5-phosphane
SMILESFc1ccc(CP(Br)(Cc2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H23BrFP/c27-29(25-12-6-2-7-13-25,26-14-8-3-9-15-26,20-22-10-4-1-5-11-22)21-23-16-18-24(28)19-17-23/h1-19H,20-21H2
InChIKeyUCPPVUKOFBEZTM-UHFFFAOYSA-N
XLogP7.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.35
LogP ≤ 57.04
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

chloromethylbenzene;1-(chloromethyl)-4-fluorobenzene
CID 70538509
N,N-bis[(4-fluorophenyl)methyl]-1-phenylmethanamine
CID 15526238
benzyl-chloro-triphenyl-lambda5-phosphane
CID 631738
1-fluoro-4-(2-methylpropyl)benzene;2-methylpropylbenzene
CID 145233135
bromo-[(2-bromo-5-fluorophenyl)methyl]-triphenyl-lambda5-phosphane
CID 13426565
1-fluoro-4-[2-[(4-fluorophenyl)methyl]-2-methyl-4-phenylbutyl]benzene
CID 46185525
benzyl-triphenyl-phosphanyl-λ5-phosphane;hydrobromide
CID 174822547
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
fluoro(1,2,3,4,5,6-13C6)cyclohexatriene
CID 76973692
benzyl-bromo-methyl-di(propan-2-yl)-lambda5-phosphane
CID 12839512
bis[(4-fluorophenyl)methyl]-phenylphosphane
CID 162409524
1-fluoro-4-(phenoxymethyl)benzene
CID 957495

Frequently Asked Questions

What is the IUPAC name of benzyl-bromo-[(4-fluorophenyl)methyl]-diphenyl-λ5-phosphane?
The IUPAC name of benzyl-bromo-[(4-fluorophenyl)methyl]-diphenyl-λ5-phosphane (CID 84820250) is benzyl-bromo-[(4-fluorophenyl)methyl]-diphenyl-λ5-phosphane.
What is the SMILES notation for benzyl-bromo-[(4-fluorophenyl)methyl]-diphenyl-λ5-phosphane?
The canonical SMILES for benzyl-bromo-[(4-fluorophenyl)methyl]-diphenyl-λ5-phosphane is Fc1ccc(CP(Br)(Cc2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of benzyl-bromo-[(4-fluorophenyl)methyl]-diphenyl-λ5-phosphane?
The InChIKey is UCPPVUKOFBEZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23BrFP/c27-29(25-12-6-2-7-13-25,26-14-8-3-9-15-26,20-22-10-4-1-5-11-22)21-23-16-18-24(28)19-17-23/h1-19H,20-21H2.
What are the key properties of benzyl-bromo-[(4-fluorophenyl)methyl]-diphenyl-λ5-phosphane?
benzyl-bromo-[(4-fluorophenyl)methyl]-diphenyl-λ5-phosphane has a molecular weight of 465.35 g/mol, XLogP of 7.04, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-bromo-[(4-fluorophenyl)methyl]-diphenyl-λ5-phosphane is sourced from PubChem (CID 84820250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).