Chemical ID: 5159029

CC(C)CC(C(=O)O)NC(=O)C(F)(F)F
Chemical ID:
5159029
Name [?]:
4-methyl-2-(2,2,2-trifluoroacetyl)amino-pentanoic acid
SMILES [?]:
CC(C)CC(C(=O)O)NC(=O)C(F)(F)F
InChi [?]:
InChI=1/C8H12F3NO3/c1-4(2)3-5(6(13)14)12-7(15)8(9,10)11/h4-5H,3H2,1-2H3,(H,12,15)(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,3,4,2,5,6,10,12,13,14,15,9,7,8,11/E:(1,2)(9,10,11)(13,14)/rA:15cCCCCCCOONCOCFFF/rB:s1;s2;s2;s4;s5;d6;s6;s5;s9;d10;s10;s12;s12;s12;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H12F3NO3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:6.59717
Area:375.367
Solvation:-2.787
Coulombic:-70.1089
Bond Count [?]
All:14
Single:12
Double:2
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:227.181
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.75
LogP (Chemaxon):1.6

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue