Chemical Properties of Testosterone, 3-HFB, 17.beta.-PFB

Testosterone, 3-HFB, 17.beta.-PFB

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InChI
InChI=1S/C30H26F12O4/c1-26-9-7-13(45-25(44)28(36,37)29(38,39)30(40,41)42)11-12(26)3-4-14-15-5-6-17(27(15,2)10-8-16(14)26)46-24(43)18-19(31)21(33)23(35)22(34)20(18)32/h7,11,14-17H,3-6,8-10H2,1-2H3/t14?,15?,16?,17-,26-,27-/m1/s1
InChI Key
VQRFVWKMQHJHEY-RIUZPASXSA-N
Formula
C30H26F12O4
SMILES
CC12CCC3C(CCC4=CC(OC(=O)C(F)(F)C(F)(F)C(F)(F)F)=CCC43C)C1CCC2OC(=O)c1c(F)c(F)c(F)c(F)c1F
Molecular Weight1
678.51
Sources

Physical Properties

Property Value Unit Source
Δf -2334.30 kJ/mol Joback Calculated Property
Δfgas -3009.70 kJ/mol Joback Calculated Property
Δfus 59.10 kJ/mol Joback Calculated Property
Δvap 92.08 kJ/mol Joback Calculated Property
logPoct/wat 8.74 Crippen Calculated Property
Pc 806.16 kPa Joback Calculated Property
Tboil 1119.24 K Joback Calculated Property
Tc 1377.75 K Joback Calculated Property
Tfus 795.58 K Joback Calculated Property
Vc 1.59 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1515.04 J/mol×K 1119.24 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-F 12
=CH- (ring) 2
=C< (ring) 8
>C< 3
>C< (ring) 2
>C=O (nonring) 2
-CH3 2
>CH- (ring) 4
-CH2- (ring) 7

Similar Compounds

Androsta-2,4-diene-3,17-diol, 17-acetate 3-(2,2,3,3,4,4,4-heptafluorobutanoate), (17«beta»)-. Epi-testosterone, 3-HFB, 17«beta»-Ac. Testosterone, 3-HFB, 17.beta.-pentadecaflorooctanoate. Testosterone, 3-HFB, 17.beta.-TFA. Testosterone, 3-pentafluoropropionate, 17.beta.-HFB. Testosterone, 3-HFB, 17.beta.-pentafluoropropionate. Testosterone, 3-HFB, 17.beta.-monochloacetate. Testosterone, 3-HFB, 17.beta.-chlorodifluoroacetate. Testosterone, 3-chlorodifluoroacetate, 17.beta.-HFBate. Testosterone, 3-TFA, 17.beta.-HFB. Testosterone, 3-Ac, 17.beta.-HFB. Cyanocobalamin. Brucine. Thebaine. Ergocristin.

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