Chemical ID: 4117328

c1cc(ccc1C(=O)O)C(F)(F)F
Chemical ID:
4117328
Name [?]:
4-(trifluoromethyl)benzoic acid
SMILES [?]:
c1cc(ccc1C(=O)O)C(F)(F)F
InChi [?]:
InChI=1/C8H5F3O2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,6,3,7,10,11,12,13,8,9/E:(1,2)(3,4)(9,10,11)(12,13)/rA:13nCCCCCCCOOCFFF/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s3;s10;s10;s10;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H5F3O2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:5.73303
Area:317.236
Solvation:-2.19788
Coulombic:-47.003
Bond Count [?]
All:13
Single:9
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:190.119
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.56
LogP (Chemaxon):2.45

Name Annotations

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Descriptor Annotations

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