Chemical Properties of Tropine, pentafluoropropionate

InChI

InChI=1S/C11H14F5NO2/c1-17-6-2-3-7(17)5-8(4-6)19-9(18)10(12,13)11(14,15)16/h6-8H,2-5H2,1H3

InChI Key

FXPLMCYIEIZHFL-UHFFFAOYSA-N

Formula

C11H14F5NO2

SMILES

CN1C2CCC1CC(OC(=O)C(F)(F)C(F)(F)F)C2

Molecular Weight¹

287.23

• 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	-2.96		Crippen Calculated Property
logPoct/wat	2.352		Crippen Calculated Property
McVol	170.400	ml/mol	McGowan Calculated Property
Inp	[1246.00; 1246.00]
Inp	1246.00		NIST
Inp	1246.00		NIST

Similar Compounds

Find more compounds similar to Tropine, pentafluoropropionate.

Sources

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

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