2-amino-1-[2-bromo-6-(trifluoromethyl)phenyl]ethanone

C9H7BrF3NO — CID 117452873

IUPAC2-amino-1-[2-bromo-6-(trifluoromethyl)phenyl]ethanone
SMILESNCC(=O)c1c(Br)cccc1C(F)(F)F
InChIInChI=1S/C9H7BrF3NO/c10-6-3-1-2-5(9(11,12)13)8(6)7(15)4-14/h1-3H,4,14H2
InChIKeyTZBDTXZPDWFFTH-UHFFFAOYSA-N
MW282.06 g/mol
LogP2.61
Rot. Bonds2

About 2-amino-1-[2-bromo-6-(trifluoromethyl)phenyl]ethanone

2-amino-1-[2-bromo-6-(trifluoromethyl)phenyl]ethanone (PubChem CID 117452873) has the molecular formula C9H7BrF3NO and a molecular weight of 282.06 g/mol. Its IUPAC name is 2-amino-1-[2-bromo-6-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-amino-1-[2-bromo-6-(trifluoromethyl)phenyl]ethanone
PubChem CID117452873
Molecular FormulaC9H7BrF3NO
Molecular Weight282.06 g/mol
Exact Mass280.97
IUPAC Name2-amino-1-[2-bromo-6-(trifluoromethyl)phenyl]ethanone
SMILESNCC(=O)c1c(Br)cccc1C(F)(F)F
InChIInChI=1S/C9H7BrF3NO/c10-6-3-1-2-5(9(11,12)13)8(6)7(15)4-14/h1-3H,4,14H2
InChIKeyTZBDTXZPDWFFTH-UHFFFAOYSA-N
XLogP2.61
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.06
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-bromo-6-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-amino-1-[2-bromo-6-(trifluoromethyl)phenyl]ethanone (CID 117452873) is 2-amino-1-[2-bromo-6-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-amino-1-[2-bromo-6-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-amino-1-[2-bromo-6-(trifluoromethyl)phenyl]ethanone is NCC(=O)c1c(Br)cccc1C(F)(F)F.
What is the InChIKey of 2-amino-1-[2-bromo-6-(trifluoromethyl)phenyl]ethanone?
The InChIKey is TZBDTXZPDWFFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF3NO/c10-6-3-1-2-5(9(11,12)13)8(6)7(15)4-14/h1-3H,4,14H2.
What are the key properties of 2-amino-1-[2-bromo-6-(trifluoromethyl)phenyl]ethanone?
2-amino-1-[2-bromo-6-(trifluoromethyl)phenyl]ethanone has a molecular weight of 282.06 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-bromo-6-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 117452873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).