(2-aminophenyl)-[4-(trifluoromethyl)phenyl]methanone

C14H10F3NO — CID 13408096

IUPAC(2-aminophenyl)-[4-(trifluoromethyl)phenyl]methanone
SMILESNc1ccccc1C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H10F3NO/c15-14(16,17)10-7-5-9(6-8-10)13(19)11-3-1-2-4-12(11)18/h1-8H,18H2
InChIKeyWJDPHVJEFVAKMT-UHFFFAOYSA-N
MW265.23 g/mol
LogP3.52
Rot. Bonds2

About (2-aminophenyl)-[4-(trifluoromethyl)phenyl]methanone

(2-aminophenyl)-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 13408096) has the molecular formula C14H10F3NO and a molecular weight of 265.23 g/mol. Its IUPAC name is (2-aminophenyl)-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(2-aminophenyl)-[4-(trifluoromethyl)phenyl]methanone
PubChem CID13408096
Molecular FormulaC14H10F3NO
Molecular Weight265.23 g/mol
Exact Mass265.07
IUPAC Name(2-aminophenyl)-[4-(trifluoromethyl)phenyl]methanone
SMILESNc1ccccc1C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H10F3NO/c15-14(16,17)10-7-5-9(6-8-10)13(19)11-3-1-2-4-12(11)18/h1-8H,18H2
InChIKeyWJDPHVJEFVAKMT-UHFFFAOYSA-N
XLogP3.52
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (2-aminophenyl)-[4-(trifluoromethyl)phenyl]methanone (CID 13408096) is (2-aminophenyl)-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (2-aminophenyl)-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (2-aminophenyl)-[4-(trifluoromethyl)phenyl]methanone is Nc1ccccc1C(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2-aminophenyl)-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is WJDPHVJEFVAKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO/c15-14(16,17)10-7-5-9(6-8-10)13(19)11-3-1-2-4-12(11)18/h1-8H,18H2.
What are the key properties of (2-aminophenyl)-[4-(trifluoromethyl)phenyl]methanone?
(2-aminophenyl)-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 265.23 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 13408096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).