Chemical Properties of (2-Fluorophenyl)-(4-chlorophenyl)-(5-pyrimidinyl)carbinol

InChI

InChI=1S/C17H12ClFN2O/c18-14-7-5-12(6-8-14)17(22,13-9-20-11-21-10-13)15-3-1-2-4-16(15)19/h1-11,22H

InChI Key

HRFUFIMTPKTRSV-UHFFFAOYSA-N

Formula

C17H12ClFN2O

SMILES

OC(c1ccc(Cl)cc1)(c1cncnc1)c1ccccc1F

Molecular Weight¹

314.74

• 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	-5.27		Crippen Calculated Property
logPoct/wat	3.553		Crippen Calculated Property
McVol	218.950	ml/mol	McGowan Calculated Property
Inp	[2358.00; 2358.00]
Inp	2358.00		NIST
Inp	2358.00		NIST

Similar Compounds

Find more compounds similar to (2-Fluorophenyl)-(4-chlorophenyl)-(5-pyrimidinyl)carbinol.

Sources

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

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