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Home > Fluorides > 114525-00-7
114525-00-7 | Isoleucine, 5,5,5-trifluoro- (9CI)
CAS No: 114525-00-7 Catalog No: AG000EMY MDL No:
Product Description
Catalog Number:
AG000EMY
Chemical Name:
Isoleucine, 5,5,5-trifluoro- (9CI)
CAS Number:
114525-00-7
Molecular Formula:
C6H10F3NO2
Molecular Weight:
185.1443
IUPAC Name:
2-amino-5,5,5-trifluoro-3-methylpentanoic acid
InChI:
InChI=1S/C6H10F3NO2/c1-3(2-6(7,8)9)4(10)5(11)12/h3-4H,2,10H2,1H3,(H,11,12)
InChI Key:
IISHLMOFSAYIEX-UHFFFAOYSA-N
SMILES:
C[C@H]([C@@H](C(=O)O)N)CC(F)(F)F
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.066g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
185.146g/mol
Monoisotopic Mass:
185.066g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
Literature
| Title | Journal |
|---|---|
| Incorporation of trifluoroisoleucine into proteins in vivo. | Journal of the American Chemical Society 20030611 |
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