2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-(trifluoromethyl)phenyl]propanoic Acid
Basic information
- CAS
238742-88-6- Standard SMILES
O=C(NC(Cc1ccc(C(F)(F)F)cc1)C(=O)O)OCC1c2ccccc2-c2ccccc21- InChIKey
YMEGJWTUWMVZPD-UHFFFAOYSA-N- Molecular formula
- C25H20F3NO4
- Average molar mass
- 455.4 g/mol
- Monoisotopic mass
- 455.13444261
Names & identifiers
- Preferred name
- 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-(trifluoromethyl)phenyl]propanoic Acid
- IUPAC
- 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-(trifluoromethyl)phenyl]propanoic acid
- English name
- FMOC-D-4-Trifluoromethylphe
- Molecular formula
- C25H20F3NO4
- Molecular weight
- 455.43
Names & synonyms
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-(trifluoromethyl)phenyl]propanoic Acid2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-[4-(trifluoromethyl)phenyl]propanoic acid748163-22-6SCHEMBL2304920DTXSID50403385YMEGJWTUWMVZPD-UHFFFAOYSA-NAKOS032947968AB07188AB07189FMOC-P-TRIFLUOROMETHYL-L-PHENYLALANINEEN300-12411760N-{[(9H-Fluoren-9-yl)methoxy]carbonyl}-4-(trifluoromethyl)phenylalanine
Show more names
FMOC-D-PHE(4-CF3)-OHFmoc-D-4-CF3-PHERARECHEM BK PT 0144FMOC-D-4-TRIFLUOROMETHYLPHEFmoc-D-4-Trifluoromethyl-phe-OHFMOC-D-4-TRIFLUOROPHENYLALANINEFMOC-D-PHE(4-TRIFLUOROMETHYL)-OHFmoc-D-Phe(4-CF3)-OH≥ 98% (HPLC)FMOC-D-4-TRIFLUOROMETHYLPHENYLALANINEFMOC-D-4-Trifluoromethylphe USP/EP/BP
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 670
Physicochemical properties
- Melting point
- 136 · 136-142°C
- Boiling point
- 619 · 619.0±55.0 °C(Predicted)
- Density
- 1.351 · 1.351±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- form
- Solid
- pka
- 3.65 · 3.65±0.10(Predicted)
- color
- White to off-white
- optical activity
- Consistent with structure
- Hazard Codes
- Xi
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- HS Code
- 2922498590 · 2922498590
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- hs_code
- 2922498590
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Applications
UsesFmoc-D-Phe(4-CF3)-OH is Phenylalanine derivative. Fmoc-D-Phe(4-CF3)-OH can be used for the research of peptide inhibitors of protein-protein interactions[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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