Chemical ID: 6131893

c1cc(ccc1c2ccc(cc2)C(F)(F)F)C(=O)O
Chemical ID:
6131893
Name [?]:
4-[4-(trifluoromethyl)phenyl]benzoic acid
SMILES [?]:
c1cc(ccc1c2ccc(cc2)C(F)(F)F)C(=O)O
InChi [?]:
InChI=1/C14H9F3O2/c15-14(16,17)12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(18)19/h1-8H,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,8,12,9,11,6,7,3,10,17,13,14,15,16,18,19/E:(1,2)(3,4)(5,6)(7,8)(15,16,17)(18,19)/rA:19nCCCCCCCCCCCCCFFFCOO/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d10;d7s11;s10;s13;s13;s13;s3;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H9F3O2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.11888
Area:423.3
Solvation:-2.46362
Coulombic:-48.6985
Bond Count [?]
All:20
Single:13
Double:7
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:266.215
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.5
LogP (Chemaxon):4.13

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Descriptor Annotations

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