(4-amino-3-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone

C13H8F4N2O — CID 102709294

IUPAC(4-amino-3-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
SMILESNc1ccc(C(=O)c2cnccc2C(F)(F)F)cc1F
InChIInChI=1S/C13H8F4N2O/c14-10-5-7(1-2-11(10)18)12(20)8-6-19-4-3-9(8)13(15,16)17/h1-6H,18H2
InChIKeyJHQFFGJSQMLRDH-UHFFFAOYSA-N
MW284.21 g/mol
LogP3.05
Rot. Bonds2

About (4-amino-3-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone

(4-amino-3-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 102709294) has the molecular formula C13H8F4N2O and a molecular weight of 284.21 g/mol. Its IUPAC name is (4-amino-3-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-amino-3-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID102709294
Molecular FormulaC13H8F4N2O
Molecular Weight284.21 g/mol
Exact Mass284.06
IUPAC Name(4-amino-3-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
SMILESNc1ccc(C(=O)c2cnccc2C(F)(F)F)cc1F
InChIInChI=1S/C13H8F4N2O/c14-10-5-7(1-2-11(10)18)12(20)8-6-19-4-3-9(8)13(15,16)17/h1-6H,18H2
InChIKeyJHQFFGJSQMLRDH-UHFFFAOYSA-N
XLogP3.05
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.21
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (4-amino-3-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of (4-amino-3-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone (CID 102709294) is (4-amino-3-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for (4-amino-3-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for (4-amino-3-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone is Nc1ccc(C(=O)c2cnccc2C(F)(F)F)cc1F.
What is the InChIKey of (4-amino-3-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is JHQFFGJSQMLRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F4N2O/c14-10-5-7(1-2-11(10)18)12(20)8-6-19-4-3-9(8)13(15,16)17/h1-6H,18H2.
What are the key properties of (4-amino-3-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
(4-amino-3-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 284.21 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 102709294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).