3-phenyl-2-(trifluoromethylamino)benzoic acid

C14H10F3NO2 — CID 23457266

IUPAC3-phenyl-2-(trifluoromethylamino)benzoic acid
SMILESO=C(O)c1cccc(-c2ccccc2)c1NC(F)(F)F
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)18-12-10(9-5-2-1-3-6-9)7-4-8-11(12)13(19)20/h1-8,18H,(H,19,20)
InChIKeyUFSRDIYPZREXTB-UHFFFAOYSA-N
MW281.23 g/mol
LogP3.98
Rot. Bonds3

About 3-phenyl-2-(trifluoromethylamino)benzoic acid

3-phenyl-2-(trifluoromethylamino)benzoic acid (PubChem CID 23457266) has the molecular formula C14H10F3NO2 and a molecular weight of 281.23 g/mol. Its IUPAC name is 3-phenyl-2-(trifluoromethylamino)benzoic acid.

Molecular Properties

Compound Name3-phenyl-2-(trifluoromethylamino)benzoic acid
PubChem CID23457266
Molecular FormulaC14H10F3NO2
Molecular Weight281.23 g/mol
Exact Mass281.07
IUPAC Name3-phenyl-2-(trifluoromethylamino)benzoic acid
SMILESO=C(O)c1cccc(-c2ccccc2)c1NC(F)(F)F
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)18-12-10(9-5-2-1-3-6-9)7-4-8-11(12)13(19)20/h1-8,18H,(H,19,20)
InChIKeyUFSRDIYPZREXTB-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(trifluoromethylamino)benzoic acid?
The IUPAC name of 3-phenyl-2-(trifluoromethylamino)benzoic acid (CID 23457266) is 3-phenyl-2-(trifluoromethylamino)benzoic acid.
What is the SMILES notation for 3-phenyl-2-(trifluoromethylamino)benzoic acid?
The canonical SMILES for 3-phenyl-2-(trifluoromethylamino)benzoic acid is O=C(O)c1cccc(-c2ccccc2)c1NC(F)(F)F.
What is the InChIKey of 3-phenyl-2-(trifluoromethylamino)benzoic acid?
The InChIKey is UFSRDIYPZREXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2/c15-14(16,17)18-12-10(9-5-2-1-3-6-9)7-4-8-11(12)13(19)20/h1-8,18H,(H,19,20).
What are the key properties of 3-phenyl-2-(trifluoromethylamino)benzoic acid?
3-phenyl-2-(trifluoromethylamino)benzoic acid has a molecular weight of 281.23 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(trifluoromethylamino)benzoic acid is sourced from PubChem (CID 23457266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).