Chemical Properties of Nalmefene, bis(trifluoroacetate)

InChI

InChI=1S/C25H23F6NO5/c1-12-6-7-23(37-21(34)25(29,30)31)16-10-14-4-5-15(35-20(33)24(26,27)28)18-17(14)22(23,19(12)36-18)8-9-32(16)11-13-2-3-13/h4-5,13,16,19H,1-3,6-11H2

InChI Key

JRLPCVZIWVNSEE-UHFFFAOYSA-N

Formula

C25H23F6NO5

SMILES

C=C1CCC2(OC(=O)C(F)(F)F)C3Cc4ccc(OC(=O)C(F)(F)F)c5c4C2(CCN3CC2CC2)C1O5

Molecular Weight¹

531.44

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Similar Compounds

Find more compounds similar to Nalmefene, bis(trifluoroacetate).

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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