[[(E)-2-(4-chlorophenyl)-1-fluoroethenyl]-diphenylphosphaniumyl]boranuide

C20H18BClFP — CID 139187383

IUPAC[[(E)-2-(4-chlorophenyl)-1-fluoroethenyl]-diphenylphosphaniumyl]boranuide
SMILES[BH3-][P+](/C(F)=C/c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18BClFP/c21-24(18-7-3-1-4-8-18,19-9-5-2-6-10-19)20(23)15-16-11-13-17(22)14-12-16/h1-15H,21H3/b20-15+
InChIKeyWLCCKNGBQUUBHT-HMMYKYKNSA-N
MW354.60 g/mol
LogP4.56
Rot. Bonds4

About [[(E)-2-(4-chlorophenyl)-1-fluoroethenyl]-diphenylphosphaniumyl]boranuide

[[(E)-2-(4-chlorophenyl)-1-fluoroethenyl]-diphenylphosphaniumyl]boranuide (PubChem CID 139187383) has the molecular formula C20H18BClFP and a molecular weight of 354.60 g/mol. Its IUPAC name is [[(E)-2-(4-chlorophenyl)-1-fluoroethenyl]-diphenylphosphaniumyl]boranuide.

Molecular Properties

Compound Name[[(E)-2-(4-chlorophenyl)-1-fluoroethenyl]-diphenylphosphaniumyl]boranuide
PubChem CID139187383
Molecular FormulaC20H18BClFP
Molecular Weight354.60 g/mol
Exact Mass354.09
IUPAC Name[[(E)-2-(4-chlorophenyl)-1-fluoroethenyl]-diphenylphosphaniumyl]boranuide
SMILES[BH3-][P+](/C(F)=C/c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18BClFP/c21-24(18-7-3-1-4-8-18,19-9-5-2-6-10-19)20(23)15-16-11-13-17(22)14-12-16/h1-15H,21H3/b20-15+
InChIKeyWLCCKNGBQUUBHT-HMMYKYKNSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.60
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(4-chlorophenyl)-triphenylphosphanium;silicic acid
CID 88685477
1-[2,2-bis(benzylsulfanyl)ethenyl]-4-chlorobenzene
CID 135021916
(Z)-2-fluoro-1,3-bis(4-phenylphenyl)prop-2-en-1-ol
CID 15461019
1-chloro-4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]sulfanylbenzene
CID 56956432
[4-[2,2-bis(4-chlorophenyl)ethenyl]phenyl]-diphenylphosphane
CID 139204693
1-chloro-4-[(E)-2-phenylbut-1-enyl]benzene
CID 72793482
(E)-2-(4-chlorophenyl)-3-phenylprop-2-enal
CID 86741984
1-chloro-4-(1,2-diphenylethenyl)benzene
CID 58695106
(1E)-1-(4-chlorophenyl)-2-phenylpenta-1,4-dien-3-ol
CID 135241983
(E)-3-(4-chlorophenyl)-1,2-diphenylprop-2-en-1-one
CID 5466800
1-chloro-4-[(E)-2-phenylselanylprop-1-enyl]benzene
CID 134932145
1-chloro-4-(2,2-diiodoethenyl)benzene
CID 6422982

Frequently Asked Questions

What is the IUPAC name of [[(E)-2-(4-chlorophenyl)-1-fluoroethenyl]-diphenylphosphaniumyl]boranuide?
The IUPAC name of [[(E)-2-(4-chlorophenyl)-1-fluoroethenyl]-diphenylphosphaniumyl]boranuide (CID 139187383) is [[(E)-2-(4-chlorophenyl)-1-fluoroethenyl]-diphenylphosphaniumyl]boranuide.
What is the SMILES notation for [[(E)-2-(4-chlorophenyl)-1-fluoroethenyl]-diphenylphosphaniumyl]boranuide?
The canonical SMILES for [[(E)-2-(4-chlorophenyl)-1-fluoroethenyl]-diphenylphosphaniumyl]boranuide is [BH3-][P+](/C(F)=C/c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [[(E)-2-(4-chlorophenyl)-1-fluoroethenyl]-diphenylphosphaniumyl]boranuide?
The InChIKey is WLCCKNGBQUUBHT-HMMYKYKNSA-N. The full InChI is InChI=1S/C20H18BClFP/c21-24(18-7-3-1-4-8-18,19-9-5-2-6-10-19)20(23)15-16-11-13-17(22)14-12-16/h1-15H,21H3/b20-15+.
What are the key properties of [[(E)-2-(4-chlorophenyl)-1-fluoroethenyl]-diphenylphosphaniumyl]boranuide?
[[(E)-2-(4-chlorophenyl)-1-fluoroethenyl]-diphenylphosphaniumyl]boranuide has a molecular weight of 354.60 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [[(E)-2-(4-chlorophenyl)-1-fluoroethenyl]-diphenylphosphaniumyl]boranuide is sourced from PubChem (CID 139187383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).