Chemical Properties of L-tyrosine, n,o-bis(2,3,4-trifluorobenzoyl)-, methyl ester

L-tyrosine, n,o-bis(2,3,4-trifluorobenzoyl)-, methyl ester

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InChI
InChI=1S/C24H15F6NO5/c1-35-24(34)17(31-22(32)13-6-8-15(25)20(29)18(13)27)10-11-2-4-12(5-3-11)36-23(33)14-7-9-16(26)21(30)19(14)28/h2-9,17H,10H2,1H3,(H,31,32)
InChI Key
BBDNFWXBCYKNCP-UHFFFAOYSA-N
Formula
C24H15F6NO5
SMILES
COC(=O)C(Cc1ccc(OC(=O)c2ccc(F)c(F)c2F)cc1)NC(=O)c1ccc(F)c(F)c1F
Molecular Weight1
511.37
Sources

Physical Properties

Property Value Unit Source
Δf -1257.65 kJ/mol Joback Calculated Property
Δfgas -1640.04 kJ/mol Joback Calculated Property
Δfus 64.55 kJ/mol Joback Calculated Property
Δvap 106.68 kJ/mol Joback Calculated Property
logPoct/wat 4.255 Crippen Calculated Property
Pc 1343.73 kPa Joback Calculated Property
Tboil 1115.22 K Joback Calculated Property
Tc 1365.96 K Joback Calculated Property
Tfus 762.59 K Joback Calculated Property
Vc 1.246 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 988.46 J/mol×K 1115.22 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
-F 6
=CH- (ring) 8
>NH 1
=C< (ring) 10
-CH2- 1
-CH3 1
>C=O (nonring) 3

Similar Compounds

L-tyrosine, n,o-bis(2,6-difluorobenzoyl)-, methyl ester. L-phenylalanine, n-(2,3,4-trifluorobenzoyl)-, methyl ester. L-tyrosine, n,o-bis(3-trifluoromethylbenzoyl)-, methyl ester. L-tyrosine, n,o-bis(2-trifluoromethylbenzoyl)-, methyl ester. L-serine, n,o-bis(2,3,4-trifluorobenzoyl)-, methyl ester. L-phenylalanine, n-(2,6-difluorobenzoyl)-, methyl ester. l-Tyrosine, N,O-bis(2-thienylcarbonyl)-, methyl ester. L-phenylalanine, n-(2-fluorobenzoyl)-, methyl ester. D-alanine, n-(2,4,5-trifluoro-3-methoxybenzoyl)-, propyl ester. D-alanine, n-(2,4,5-trifluoro-3-methoxybenzoyl)-, ethyl ester. D-alanine, n-(2,4,5-trifluoro-3-methoxybenzoyl)-, isohexyl ester. D-alanine, n-(2,4,5-trifluoro-3-methoxybenzoyl)-, nonadecyl ester. L-cysteine, n,s-bis(2,3,4-trifluorobenzoyl)-, methyl ester. 3-O-methyl dopamine, PFB-TMS. 2-(Perfluorobenzamido)ethyl 2,3,4,5,6-pentafluorobenzoate.

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