benzyl-fluoro-triphenyl-λ5-phosphane;hydrochloride

C25H23ClFP — CID 173254965

IUPACbenzyl-fluoro-triphenyl-λ5-phosphane;hydrochloride
SMILESCl.FP(Cc1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H22FP.ClH/c26-27(23-15-7-2-8-16-23,24-17-9-3-10-18-24,25-19-11-4-12-20-25)21-22-13-5-1-6-14-22;/h1-20H,21H2;1H
InChIKeyFBNONCVVCIXJIV-UHFFFAOYSA-N
MW408.88 g/mol
LogP6.02
Rot. Bonds5

About benzyl-fluoro-triphenyl-λ5-phosphane;hydrochloride

benzyl-fluoro-triphenyl-λ5-phosphane;hydrochloride (PubChem CID 173254965) has the molecular formula C25H23ClFP and a molecular weight of 408.88 g/mol. Its IUPAC name is benzyl-fluoro-triphenyl-λ5-phosphane;hydrochloride.

Molecular Properties

Compound Namebenzyl-fluoro-triphenyl-λ5-phosphane;hydrochloride
PubChem CID173254965
Molecular FormulaC25H23ClFP
Molecular Weight408.88 g/mol
Exact Mass408.12
IUPAC Namebenzyl-fluoro-triphenyl-λ5-phosphane;hydrochloride
SMILESCl.FP(Cc1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H22FP.ClH/c26-27(23-15-7-2-8-16-23,24-17-9-3-10-18-24,25-19-11-4-12-20-25)21-22-13-5-1-6-14-22;/h1-20H,21H2;1H
InChIKeyFBNONCVVCIXJIV-UHFFFAOYSA-N
XLogP6.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.88
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze benzyl-fluoro-triphenyl-λ5-phosphane;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl-fluoro-triphenyl-λ5-phosphane;hydrochloride?
The IUPAC name of benzyl-fluoro-triphenyl-λ5-phosphane;hydrochloride (CID 173254965) is benzyl-fluoro-triphenyl-λ5-phosphane;hydrochloride.
What is the SMILES notation for benzyl-fluoro-triphenyl-λ5-phosphane;hydrochloride?
The canonical SMILES for benzyl-fluoro-triphenyl-λ5-phosphane;hydrochloride is Cl.FP(Cc1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of benzyl-fluoro-triphenyl-λ5-phosphane;hydrochloride?
The InChIKey is FBNONCVVCIXJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FP.ClH/c26-27(23-15-7-2-8-16-23,24-17-9-3-10-18-24,25-19-11-4-12-20-25)21-22-13-5-1-6-14-22;/h1-20H,21H2;1H.
What are the key properties of benzyl-fluoro-triphenyl-λ5-phosphane;hydrochloride?
benzyl-fluoro-triphenyl-λ5-phosphane;hydrochloride has a molecular weight of 408.88 g/mol, XLogP of 6.02, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-fluoro-triphenyl-λ5-phosphane;hydrochloride is sourced from PubChem (CID 173254965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).