2-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanone

C9H7F4NO — CID 117115583

IUPAC2-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanone
SMILESNCC(=O)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C9H7F4NO/c10-5-1-2-6(8(15)4-14)7(3-5)9(11,12)13/h1-3H,4,14H2
InChIKeyZTVZGPLXCHOJQM-UHFFFAOYSA-N
MW221.15 g/mol
LogP1.99
Rot. Bonds2

About 2-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanone

2-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanone (PubChem CID 117115583) has the molecular formula C9H7F4NO and a molecular weight of 221.15 g/mol. Its IUPAC name is 2-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanone
PubChem CID117115583
Molecular FormulaC9H7F4NO
Molecular Weight221.15 g/mol
Exact Mass221.05
IUPAC Name2-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanone
SMILESNCC(=O)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C9H7F4NO/c10-5-1-2-6(8(15)4-14)7(3-5)9(11,12)13/h1-3H,4,14H2
InChIKeyZTVZGPLXCHOJQM-UHFFFAOYSA-N
XLogP1.99
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.15
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanone (CID 117115583) is 2-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanone is NCC(=O)c1ccc(F)cc1C(F)(F)F.
What is the InChIKey of 2-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanone?
The InChIKey is ZTVZGPLXCHOJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F4NO/c10-5-1-2-6(8(15)4-14)7(3-5)9(11,12)13/h1-3H,4,14H2.
What are the key properties of 2-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanone?
2-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanone has a molecular weight of 221.15 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 117115583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).