142-73-4 Purity
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Specification
The molecular formula of Boc-L-3-trifluoromethylphe is C15H18F3NO4.
Boc-L-3-trifluoromethylphe was created on July 29, 2006, and last modified on December 30, 2023.
The IUPAC name of Boc-L-3-trifluoromethylphe is (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[3-(trifluoromethyl)phenyl]propanoic acid.
The InChI of Boc-L-3-trifluoromethylphe is InChI=1S/C15H18F3NO4/c1-14(2,3)23-13(22)19-11(12(20)21)8-9-5-4-6-10(7-9)15(16,17)18/h4-7,11H,8H2,1-3H3,(H,19,22)(H,20,21)/t11-/m0/s1.
The InChIKey of Boc-L-3-trifluoromethylphe is SHMWDGGGZHFFRC-NSHDSACASA-N.
The Canonical SMILES of Boc-L-3-trifluoromethylphe is CC(C)(C)OC(=O)NC(CC1=CC(=CC=C1)C(F)(F)F)C(=O)O.
The molecular weight of Boc-L-3-trifluoromethylphe is 333.30 g/mol.
Boc-L-3-trifluoromethylphe has 2 hydrogen bond donor counts.
The XLogP3-AA value of Boc-L-3-trifluoromethylphe is 3.4.
Yes, Boc-L-3-trifluoromethylphe is a canonicalized compound.