2-amino-2-phenyl-1-[2-(trifluoromethoxy)phenyl]ethanone

C15H12F3NO2 — CID 116551144

IUPAC2-amino-2-phenyl-1-[2-(trifluoromethoxy)phenyl]ethanone
SMILESNC(C(=O)c1ccccc1OC(F)(F)F)c1ccccc1
InChIInChI=1S/C15H12F3NO2/c16-15(17,18)21-12-9-5-4-8-11(12)14(20)13(19)10-6-2-1-3-7-10/h1-9,13H,19H2
InChIKeyVVUOYDRVKPTVCZ-UHFFFAOYSA-N
MW295.26 g/mol
LogP3.47
Rot. Bonds4

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

2-amino-2-phenyl-1-[2-(trifluoromethoxy)phenyl]ethanone (PubChem CID 116551144) has the molecular formula C15H12F3NO2 and a molecular weight of 295.26 g/mol. Its IUPAC name is 2-amino-2-phenyl-1-[2-(trifluoromethoxy)phenyl]ethanone.

Molecular Properties

Compound Name2-amino-2-phenyl-1-[2-(trifluoromethoxy)phenyl]ethanone
PubChem CID116551144
Molecular FormulaC15H12F3NO2
Molecular Weight295.26 g/mol
Exact Mass295.08
IUPAC Name2-amino-2-phenyl-1-[2-(trifluoromethoxy)phenyl]ethanone
SMILESNC(C(=O)c1ccccc1OC(F)(F)F)c1ccccc1
InChIInChI=1S/C15H12F3NO2/c16-15(17,18)21-12-9-5-4-8-11(12)14(20)13(19)10-6-2-1-3-7-10/h1-9,13H,19H2
InChIKeyVVUOYDRVKPTVCZ-UHFFFAOYSA-N
XLogP3.47
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 116551128
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2-fluoro-3-(trifluoromethoxy)benzoyl fluoride
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methyl 2-amino-2-[2-(trifluoromethoxy)phenyl]acetate
CID 60795431
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N,N-dimethyl-2-(trifluoromethoxy)benzamide
CID 133060382
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(2R)-2-amino-1-(2,4-dimethoxyphenyl)-2-phenylethanone
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CID 171246757

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenyl-1-[2-(trifluoromethoxy)phenyl]ethanone?
The IUPAC name of 2-amino-2-phenyl-1-[2-(trifluoromethoxy)phenyl]ethanone (CID 116551144) is 2-amino-2-phenyl-1-[2-(trifluoromethoxy)phenyl]ethanone.
What is the SMILES notation for 2-amino-2-phenyl-1-[2-(trifluoromethoxy)phenyl]ethanone?
The canonical SMILES for 2-amino-2-phenyl-1-[2-(trifluoromethoxy)phenyl]ethanone is NC(C(=O)c1ccccc1OC(F)(F)F)c1ccccc1.
What is the InChIKey of 2-amino-2-phenyl-1-[2-(trifluoromethoxy)phenyl]ethanone?
The InChIKey is VVUOYDRVKPTVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO2/c16-15(17,18)21-12-9-5-4-8-11(12)14(20)13(19)10-6-2-1-3-7-10/h1-9,13H,19H2.
What are the key properties of 2-amino-2-phenyl-1-[2-(trifluoromethoxy)phenyl]ethanone?
2-amino-2-phenyl-1-[2-(trifluoromethoxy)phenyl]ethanone has a molecular weight of 295.26 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenyl-1-[2-(trifluoromethoxy)phenyl]ethanone is sourced from PubChem (CID 116551144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).