1-(3-aminophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone

C15H12F3NO — CID 116548555

IUPAC1-(3-aminophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESNc1cccc(C(=O)Cc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H12F3NO/c16-15(17,18)12-5-1-3-10(7-12)8-14(20)11-4-2-6-13(19)9-11/h1-7,9H,8,19H2
InChIKeyFXOBYGIGZHHXRL-UHFFFAOYSA-N
MW279.26 g/mol
LogP3.71
Rot. Bonds3

About 1-(3-aminophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone

1-(3-aminophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 116548555) has the molecular formula C15H12F3NO and a molecular weight of 279.26 g/mol. Its IUPAC name is 1-(3-aminophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-(3-aminophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
PubChem CID116548555
Molecular FormulaC15H12F3NO
Molecular Weight279.26 g/mol
Exact Mass279.09
IUPAC Name1-(3-aminophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESNc1cccc(C(=O)Cc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H12F3NO/c16-15(17,18)12-5-1-3-10(7-12)8-14(20)11-4-2-6-13(19)9-11/h1-7,9H,8,19H2
InChIKeyFXOBYGIGZHHXRL-UHFFFAOYSA-N
XLogP3.71
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-amino-5-bromophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 116597104
[3-(trifluoromethyl)phenyl]methyl 3-aminobenzoate
CID 60665378
1-(4-amino-3-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 116581836
2-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone
CID 60798946
1-(3,5-dichlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 114966350
1-[2-(aminomethyl)-4-pyridinyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 116601811
1-(4-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 63411308
1-[4-(4-fluorophenyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 57090023
2-(3-aminophenyl)-1-(3-methylphenyl)ethanone
CID 116577163
3-amino-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide
CID 119771428
1-(3-aminophenyl)-3-bromopropan-1-one
CID 67069014
1-(2-iodophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 114966369

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-(3-aminophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone (CID 116548555) is 1-(3-aminophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-(3-aminophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-(3-aminophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone is Nc1cccc(C(=O)Cc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 1-(3-aminophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is FXOBYGIGZHHXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO/c16-15(17,18)12-5-1-3-10(7-12)8-14(20)11-4-2-6-13(19)9-11/h1-7,9H,8,19H2.
What are the key properties of 1-(3-aminophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone?
1-(3-aminophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 279.26 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 116548555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).