Chemical Properties of Penfluridol (CAS 26864-56-2)

InChI

InChI=1S/C28H27ClF5NO/c29-26-12-7-21(18-25(26)28(32,33)34)27(36)13-16-35(17-14-27)15-1-2-24(19-3-8-22(30)9-4-19)20-5-10-23(31)11-6-20/h3-12,18,24,36H,1-2,13-17H2

InChI Key

MDLAAYDRRZXJIF-UHFFFAOYSA-N

Formula

C28H27ClF5NO

SMILES

OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1

Molecular Weight¹

523.97

CAS

26864-56-2

Other Names

• 4-Piperidinol, 1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]-
• 4-Piperidinol, 4-(4-chloro-«alpha»,«alpha»,«alpha»-trifluoro-m-tolyl)-1-(4,4-bis(p-fluorophenyl)butyl)-
• McN-JR-16,341
• R 16341
• Semap
• TLP-607
• 1-[4,4-Bis(p-fluorophenyl)butyl]-4-(4-chloro-«alpha»,«alpha»,«alpha»-trifluoro-m-tolyl)-4-piperidinol
• 1-[4,4-Bis(p-flurophenyl)butyl]-4-(4-chloro-«alpha»,«alpha»,«alpha»-trifluoro-m-tolyl)-4-piperidinol
• 1-[4,4-Bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]-4-piperidinol
• Penfuridol

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-8.85		Crippen Calculated Property
logPoct/wat	7.533		Crippen Calculated Property
McVol	360.180	ml/mol	McGowan Calculated Property
Inp	[3311.00; 3311.00]
Inp	3311.00		NIST
Inp	3311.00		NIST

Similar Compounds

Find more compounds similar to Penfluridol.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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