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

C14H10F3NO2 — CID 51346826

IUPAC3-[4-(trifluoromethyl)anilino]benzoic acid
SMILESO=C(O)c1cccc(Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)10-4-6-11(7-5-10)18-12-3-1-2-9(8-12)13(19)20/h1-8,18H,(H,19,20)
InChIKeyMDZIRNPRVJEHHX-UHFFFAOYSA-N
MW281.23 g/mol
LogP4.15
Rot. Bonds3

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

3-[4-(trifluoromethyl)anilino]benzoic acid (PubChem CID 51346826) has the molecular formula C14H10F3NO2 and a molecular weight of 281.23 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)anilino]benzoic acid.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)anilino]benzoic acid
PubChem CID51346826
Molecular FormulaC14H10F3NO2
Molecular Weight281.23 g/mol
Exact Mass281.07
IUPAC Name3-[4-(trifluoromethyl)anilino]benzoic acid
SMILESO=C(O)c1cccc(Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)10-4-6-11(7-5-10)18-12-3-1-2-9(8-12)13(19)20/h1-8,18H,(H,19,20)
InChIKeyMDZIRNPRVJEHHX-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 3-[4-(trifluoromethyl)anilino]benzoic acid?
The IUPAC name of 3-[4-(trifluoromethyl)anilino]benzoic acid (CID 51346826) is 3-[4-(trifluoromethyl)anilino]benzoic acid.
What is the SMILES notation for 3-[4-(trifluoromethyl)anilino]benzoic acid?
The canonical SMILES for 3-[4-(trifluoromethyl)anilino]benzoic acid is O=C(O)c1cccc(Nc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 3-[4-(trifluoromethyl)anilino]benzoic acid?
The InChIKey is MDZIRNPRVJEHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2/c15-14(16,17)10-4-6-11(7-5-10)18-12-3-1-2-9(8-12)13(19)20/h1-8,18H,(H,19,20).
What are the key properties of 3-[4-(trifluoromethyl)anilino]benzoic acid?
3-[4-(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 3-[4-(trifluoromethyl)anilino]benzoic acid is sourced from PubChem (CID 51346826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).