Chemical Properties of hydroxyproline, trifluoroacetyl-isopropyl ester

InChI

InChI=1S/C10H14F3NO4/c1-5(2)18-8(16)7-3-6(15)4-14(7)9(17)10(11,12)13/h5-7,15H,3-4H2,1-2H3

InChI Key

OGJAAWUKJRYTCF-UHFFFAOYSA-N

Formula

C10H14F3NO4

SMILES

CC(C)OC(=O)C1CC(O)CN1C(=O)C(F)(F)F

Molecular Weight¹

269.22

Other Names

• Hydroxyproline, N-trifluoroacetyl, 1-methylethyl ester

• 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
logPoct/wat	0.462		Crippen Calculated Property
McVol	171.070	ml/mol	McGowan Calculated Property
Inp	[1332.00; 1381.00]
Inp	1332.00		NIST
Inp	1381.00		NIST
Inp	1381.00		NIST
Inp	1332.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to hydroxyproline, trifluoroacetyl-isopropyl ester.

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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