Chemical ID: 3996881

c1cc(ccc1C(=O)NCC(=O)O)C(F)(F)F
Chemical ID:
3996881
Name [?]:
2-[4-(trifluoromethyl)benzoyl]aminoacetic acid
SMILES [?]:
c1cc(ccc1C(=O)NCC(=O)O)C(F)(F)F
InChi [?]:
InChI=1/C10H8F3NO3/c11-10(12,13)7-3-1-6(2-4-7)9(17)14-5-8(15)16/h1-4H,5H2,(H,14,17)(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,10,6,3,11,7,14,15,16,17,9,12,13,8/E:(1,2)(3,4)(11,12,13)(15,16)/rA:17nCCCCCCCONCCOOCFFF/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;d11;s11;s3;s14;s14;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H8F3NO3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:6.83404
Area:401.294
Solvation:-3.1983
Coulombic:-67.3567
Bond Count [?]
All:17
Single:12
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:247.171
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.73
LogP (Chemaxon):1.37

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