Chemical Properties of Acetyl 4'-fluorofentanyl

InChI

InChI=1S/C21H25FN2O/c1-17(25)24(20-9-7-19(22)8-10-20)21-12-15-23(16-13-21)14-11-18-5-3-2-4-6-18/h2-10,21H,11-16H2,1H3

InChI Key

OXKSBDHHJOPFAH-UHFFFAOYSA-N

Formula

C21H25FN2O

SMILES

CC(=O)N(c1ccc(F)cc1)C1CCN(CCc2ccccc2)CC1

Molecular Weight¹

340.43

• 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

Property	Value	Unit	Source
ω	0.6944		Relay (1.0) Calculated Property
ΔfG°	212.66	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-202.21	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	121.26	kJ/mol	Relay (1.0) Calculated Property
IE	7.96	eV	Relay (1.0) Calculated Property
log10WS	-3.37		Relay (1.0) Calculated Property
logPoct/wat	3.886		Crippen Calculated Property
McVol	271.670	ml/mol	McGowan Calculated Property
Pc	1513.61	kPa	Relay (1.0-beta) Calculated Property
Inp	[2715.00; 2715.00]
Inp	2715.00		NIST
Inp	2715.00		NIST
Tboil	681.20	K	Relay (1.0) Calculated Property
Tc	945.17	K	Relay (1.0) Calculated Property
Tfus	402.36	K	Relay (1.0) Calculated Property
Vc	0.967	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Acetyl 4'-fluorofentanyl.

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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