4-[2-(trifluoromethoxy)anilino]benzoic acid

C14H10F3NO3 — CID 62232189

IUPAC4-[2-(trifluoromethoxy)anilino]benzoic acid
SMILESO=C(O)c1ccc(Nc2ccccc2OC(F)(F)F)cc1
InChIInChI=1S/C14H10F3NO3/c15-14(16,17)21-12-4-2-1-3-11(12)18-10-7-5-9(6-8-10)13(19)20/h1-8,18H,(H,19,20)
InChIKeyWQUHUXDZBKDASL-UHFFFAOYSA-N
MW297.23 g/mol
LogP4.03
Rot. Bonds4

About 4-[2-(trifluoromethoxy)anilino]benzoic acid

4-[2-(trifluoromethoxy)anilino]benzoic acid (PubChem CID 62232189) has the molecular formula C14H10F3NO3 and a molecular weight of 297.23 g/mol. Its IUPAC name is 4-[2-(trifluoromethoxy)anilino]benzoic acid.

Molecular Properties

Compound Name4-[2-(trifluoromethoxy)anilino]benzoic acid
PubChem CID62232189
Molecular FormulaC14H10F3NO3
Molecular Weight297.23 g/mol
Exact Mass297.06
IUPAC Name4-[2-(trifluoromethoxy)anilino]benzoic acid
SMILESO=C(O)c1ccc(Nc2ccccc2OC(F)(F)F)cc1
InChIInChI=1S/C14H10F3NO3/c15-14(16,17)21-12-4-2-1-3-11(12)18-10-7-5-9(6-8-10)13(19)20/h1-8,18H,(H,19,20)
InChIKeyWQUHUXDZBKDASL-UHFFFAOYSA-N
XLogP4.03
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-[2-(trifluoromethoxy)anilino]pyrimidin-2-yl]amino]benzoic acid
CID 56587968
2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]aniline
CID 87491554
4-(2-propan-2-yloxyanilino)benzoic acid
CID 82535891
4-(2-fluoroanilino)benzoic acid
CID 62231206
4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoic acid
CID 18274848
4-iodo-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 43034347
4-hydroxy-3-[(E)-[[2-(trifluoromethoxy)phenyl]hydrazinylidene]methyl]benzoic acid
CID 135433589
4-(2,3-difluoroanilino)benzoic acid
CID 62230863
methyl 4-[[2-[2-(trifluoromethoxy)anilino]acetyl]amino]benzoate
CID 30644453
N-[2-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide
CID 16572142
4-(2-carbamoyl-3-fluoroanilino)benzoic acid
CID 79513280
4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 35203584

Frequently Asked Questions

What is the IUPAC name of 4-[2-(trifluoromethoxy)anilino]benzoic acid?
The IUPAC name of 4-[2-(trifluoromethoxy)anilino]benzoic acid (CID 62232189) is 4-[2-(trifluoromethoxy)anilino]benzoic acid.
What is the SMILES notation for 4-[2-(trifluoromethoxy)anilino]benzoic acid?
The canonical SMILES for 4-[2-(trifluoromethoxy)anilino]benzoic acid is O=C(O)c1ccc(Nc2ccccc2OC(F)(F)F)cc1.
What is the InChIKey of 4-[2-(trifluoromethoxy)anilino]benzoic acid?
The InChIKey is WQUHUXDZBKDASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO3/c15-14(16,17)21-12-4-2-1-3-11(12)18-10-7-5-9(6-8-10)13(19)20/h1-8,18H,(H,19,20).
What are the key properties of 4-[2-(trifluoromethoxy)anilino]benzoic acid?
4-[2-(trifluoromethoxy)anilino]benzoic acid has a molecular weight of 297.23 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(trifluoromethoxy)anilino]benzoic acid is sourced from PubChem (CID 62232189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).