Chemical ID: 4118500

c1cc(c(c(c1)N)C(=O)O)C(F)(F)F
Chemical ID:
4118500
Name [?]:
2-amino-6-(trifluoromethyl)benzoic acid
SMILES [?]:
c1cc(c(c(c1)N)C(=O)O)C(F)(F)F
InChi [?]:
InChI=1/C8H6F3NO2/c9-8(10,11)4-2-1-3-5(12)6(4)7(13)14/h1-3H,12H2,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,8,11,12,13,14,7,9,10/E:(9,10,11)(13,14)/rA:14nCCCCCCNCOOCFFF/rB:s1;d2;s3;d4;d1s5;s5;s4;d8;s8;s3;s11;s11;s11;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H6F3NO2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:5.39195
Area:317.779
Solvation:-2.55252
Coulombic:-61.4053
Bond Count [?]
All:14
Single:10
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:205.134
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:2.39
LogP (Chemaxon):2.31

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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