4-[3-(trifluoromethyl)anilino]benzoic acid

C14H10F3NO2 — CID 13105473

IUPAC4-[3-(trifluoromethyl)anilino]benzoic acid
SMILESO=C(O)c1ccc(Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)10-2-1-3-12(8-10)18-11-6-4-9(5-7-11)13(19)20/h1-8,18H,(H,19,20)
InChIKeyDYOKQJIZECPOJL-UHFFFAOYSA-N
MW281.23 g/mol
LogP4.15
Rot. Bonds3

About 4-[3-(trifluoromethyl)anilino]benzoic acid

4-[3-(trifluoromethyl)anilino]benzoic acid (PubChem CID 13105473) has the molecular formula C14H10F3NO2 and a molecular weight of 281.23 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)anilino]benzoic acid.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)anilino]benzoic acid
PubChem CID13105473
Molecular FormulaC14H10F3NO2
Molecular Weight281.23 g/mol
Exact Mass281.07
IUPAC Name4-[3-(trifluoromethyl)anilino]benzoic acid
SMILESO=C(O)c1ccc(Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)10-2-1-3-12(8-10)18-11-6-4-9(5-7-11)13(19)20/h1-8,18H,(H,19,20)
InChIKeyDYOKQJIZECPOJL-UHFFFAOYSA-N
XLogP4.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)anilino]benzoic acid?
The IUPAC name of 4-[3-(trifluoromethyl)anilino]benzoic acid (CID 13105473) is 4-[3-(trifluoromethyl)anilino]benzoic acid.
What is the SMILES notation for 4-[3-(trifluoromethyl)anilino]benzoic acid?
The canonical SMILES for 4-[3-(trifluoromethyl)anilino]benzoic acid is O=C(O)c1ccc(Nc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-[3-(trifluoromethyl)anilino]benzoic acid?
The InChIKey is DYOKQJIZECPOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2/c15-14(16,17)10-2-1-3-12(8-10)18-11-6-4-9(5-7-11)13(19)20/h1-8,18H,(H,19,20).
What are the key properties of 4-[3-(trifluoromethyl)anilino]benzoic acid?
4-[3-(trifluoromethyl)anilino]benzoic acid has a molecular weight of 281.23 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)anilino]benzoic acid is sourced from PubChem (CID 13105473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).