1-(2-amino-5-fluorophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanone

C15H11F4NO2 — CID 66660404

IUPAC1-(2-amino-5-fluorophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanone
SMILESNc1ccc(F)cc1C(=O)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H11F4NO2/c16-10-3-6-13(20)12(8-10)14(21)7-9-1-4-11(5-2-9)22-15(17,18)19/h1-6,8H,7,20H2
InChIKeyJDIQCWONPGJGHG-UHFFFAOYSA-N
MW313.25 g/mol
LogP3.73
Rot. Bonds4

About 1-(2-amino-5-fluorophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanone

1-(2-amino-5-fluorophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanone (PubChem CID 66660404) has the molecular formula C15H11F4NO2 and a molecular weight of 313.25 g/mol. Its IUPAC name is 1-(2-amino-5-fluorophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-(2-amino-5-fluorophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanone
PubChem CID66660404
Molecular FormulaC15H11F4NO2
Molecular Weight313.25 g/mol
Exact Mass313.07
IUPAC Name1-(2-amino-5-fluorophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanone
SMILESNc1ccc(F)cc1C(=O)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H11F4NO2/c16-10-3-6-13(20)12(8-10)14(21)7-9-1-4-11(5-2-9)22-15(17,18)19/h1-6,8H,7,20H2
InChIKeyJDIQCWONPGJGHG-UHFFFAOYSA-N
XLogP3.73
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.25
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-5-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 82685660
1-(2-amino-5-fluorophenyl)-2-(3-fluorophenyl)ethanone
CID 82685528
1-(4-fluoro-2-methylphenyl)-2-[4-(2-fluoropropan-2-yloxy)phenyl]ethanone
CID 144675666
1-(2-amino-5-fluorophenyl)-2-(furan-3-yl)ethanone
CID 83173098
1-[2-amino-5-(trifluoromethoxy)phenyl]pentan-1-one
CID 83988078
N-(5-amino-6-fluoro-3-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 177311596
2-amino-4-fluoro-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 118582181
1-[2-amino-5-(trifluoromethoxy)phenyl]-2,2,2-trifluoroethanone
CID 98460898
2-[4-(trifluoromethoxy)phenyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 112829044
2-oxo-3-[4-(trifluoromethoxy)phenyl]propanoic acid
CID 16790000
1-(5-amino-2,4-difluorophenyl)-2-(4-fluorophenyl)ethanone
CID 152905588
1-[2-amino-5-(trifluoromethyl)phenyl]-2-phenylethanone
CID 112556286

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-fluorophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanone?
The IUPAC name of 1-(2-amino-5-fluorophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanone (CID 66660404) is 1-(2-amino-5-fluorophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanone.
What is the SMILES notation for 1-(2-amino-5-fluorophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanone?
The canonical SMILES for 1-(2-amino-5-fluorophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanone is Nc1ccc(F)cc1C(=O)Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-(2-amino-5-fluorophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanone?
The InChIKey is JDIQCWONPGJGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F4NO2/c16-10-3-6-13(20)12(8-10)14(21)7-9-1-4-11(5-2-9)22-15(17,18)19/h1-6,8H,7,20H2.
What are the key properties of 1-(2-amino-5-fluorophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanone?
1-(2-amino-5-fluorophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanone has a molecular weight of 313.25 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-fluorophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanone is sourced from PubChem (CID 66660404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).