Chemical ID: 5011867

c1ccc(c(c1)C(=O)O)Oc2cccc(c2)C(F)(F)F
Chemical ID:
5011867
Name [?]:
2-[3-(trifluoromethyl)phenoxy]benzoic acid
SMILES [?]:
c1ccc(c(c1)C(=O)O)Oc2cccc(c2)C(F)(F)F
InChi [?]:
InChI=1/C14H9F3O3/c15-14(16,17)9-4-3-5-10(8-9)20-12-7-2-1-6-11(12)13(18)19/h1-8H,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,13,14,12,6,3,16,15,11,5,4,7,17,18,19,20,8,9,10/E:(15,16,17)(18,19)/rA:20nCCCCCCCOOOCCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;s10;s11;d12;s13;d14;d11s15;s15;s17;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H9F3O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.04658
Area:424.854
Solvation:-3.57477
Coulombic:-54.3479
Bond Count [?]
All:21
Single:14
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:282.215
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.04
LogP (Chemaxon):3.87

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