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Boc-Phe (2-CF3) -OH

CAT: 0024-sc-227489Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-227489Size:1 g
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CAS Number
167993-21-7

Chemical Information

Boc-2-(trifluoromethyl)-L-phenylalanine
CAS Number167993-21-7
PubChem CID2761473
IUPAC Name(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[2-(trifluoromethyl)phenyl]propanoic acid
Molecular FormulaC15H18F3NO4
Molecular Weight333.30
XLogP3.4
Topological Polar Surface Area75.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count23
Formal Charge0
Complexity431
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1C(F)(F)F)C(=O)O
InChI
InChI=1S/C15H18F3NO4/c1-14(2,3)23-13(22)19-11(12(20)21)8-9-6-4-5-7-10(9)15(16,17)18/h4-7,11H,8H2,1-3H3,(H,19,22)(H,20,21)/t11-/m0/s1
InChIKey
XKMOOODKNPYTEE-NSHDSACASA-N
Chemical Structure
2D Structure
2D structure of Boc-2-(trifluoromethyl)-L-phenylalanine
CAS: 167993-21-7
CID: 2761473
Formula: C15H18F3NO4
MW: 333.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight333.30
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass333.11879254
Monoisotopic Mass333.11879254
Topological Polar Surface Area75.6 Ų
Heavy Atom Count23
Formal Charge0
Complexity431
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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