ChemDB: Chemical Search
Download
Chemical ID: 5230451
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.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|