Chemical ID: 5230451

CCCC(C(=O)O)NC(=O)C(F)(F)F
Chemical ID:
5230451
Name [?]:
2-(2,2,2-trifluoroacetyl)aminopentanoic acid
SMILES [?]:
CCCC(C(=O)O)NC(=O)C(F)(F)F
InChi [?]:
InChI=1/C7H10F3NO3/c1-2-3-4(5(12)13)11-6(14)7(8,9)10/h4H,2-3H2,1H3,(H,11,14)(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,9,11,12,13,14,8,6,7,10/E:(8,9,10)(12,13)/rA:14cCCCCCOONCOCFFF/rB:s1;s2;s3;s4;d5;s5;s4;s8;d9;s9;s11;s11;s11;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H10F3NO3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:6.14623
Area:358.648
Solvation:-2.81996
Coulombic:-69.8222
Bond Count [?]
All:13
Single:11
Double:2
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:213.154
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.24
LogP (Chemaxon):1.27

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