Product Name

  • Name

    N-([3-(TRIFLUOROMETHYL)PHENYL]SULFONYL)PHENYLALANINE

  • EINECS
  • CAS No. 250714-63-7
  • Density 1.423 g/cm3
  • Solubility
  • Melting Point 140-142 °C
  • Formula C16H14F3NO4S
  • Boiling Point 512.3 °C at 760 mmHg
  • Molecular Weight 373.35
  • Flash Point 263.6 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 250714-63-7 (N-([3-(TRIFLUOROMETHYL)PHENYL]SULFONYL)PHENYLALANINE)
  • Hazard Symbols IrritantXi
  • Synonyms N-{[3-(Trifluoromethyl)phenyl]sulfonyl}phenylalanine; Phenylalanine, N-[[3-(trifluoromethyl)phenyl]sulfonyl]-
  • PSA 91.85000
  • LogP 4.15130

Phenylalanine,N-[[3-(trifluoromethyl)phenyl]sulfonyl]- Specification

The Phenylalanine,N-[[3-(trifluoromethyl)phenyl]sulfonyl]- is an organic compound with the formula C16H14F3NO4S. The systematic name of this chemical is N-{[3-(trifluoromethyl)phenyl]sulfonyl}phenylalanine. With the CAS registry number 250714-63-7, it is also named as 3-phenyl-2-({[3-(trifluoromethyl)phenyl]sulfonyl}amino)propanoic acid.

Physical properties about Phenylalanine,N-[[3-(trifluoromethyl)phenyl]sulfonyl]- are: (1)ACD/LogP: 3.72; (2)ACD/LogD (pH 5.5): 0.96; (3)ACD/LogD (pH 7.4): 0.02; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 4.34; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 72.06 Å2; (12)Index of Refraction: 1.557; (13)Molar Refractivity: 84.44 cm3; (14)Molar Volume: 262.2 cm3; (15)Polarizability: 33.47×10-24cm3; (16)Surface Tension: 47.2 dyne/cm; (17)Density: 1.423 g/cm3; (18)Flash Point: 263.6 °C; (19)Enthalpy of Vaporization: 82.49 kJ/mol; (20)Boiling Point: 512.3 °C at 760 mmHg; (21)Vapour Pressure: 2.56E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cccc(c1)S(=O)(=O)NC(C(=O)O)Cc2ccccc2
(2)InChI: InChI=1/C16H14F3NO4S/c17-16(18,19)12-7-4-8-13(10-12)25(23,24)20-14(15(21)22)9-11-5-2-1-3-6-11/h1-8,10,14,20H,9H2,(H,21,22)
(3)InChIKey: JFDJLMGVJXHLOF-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C16H14F3NO4S/c17-16(18,19)12-7-4-8-13(10-12)25(23,24)20-14(15(21)22)9-11-5-2-1-3-6-11/h1-8,10,14,20H,9H2,(H,21,22)
(5)Std. InChIKey: JFDJLMGVJXHLOF-UHFFFAOYSA-N

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