2-amino-1-[3-(trifluoromethyl)phenyl]ethanone;hydrochloride

C9H9ClF3NO — CID 13365885

IUPAC2-amino-1-[3-(trifluoromethyl)phenyl]ethanone;hydrochloride
SMILESCl.NCC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H8F3NO.ClH/c10-9(11,12)7-3-1-2-6(4-7)8(14)5-13;/h1-4H,5,13H2;1H
InChIKeyHEPPSEJUYWXQJV-UHFFFAOYSA-N
MW239.62 g/mol
LogP2.27
Rot. Bonds2

About 2-amino-1-[3-(trifluoromethyl)phenyl]ethanone;hydrochloride

2-amino-1-[3-(trifluoromethyl)phenyl]ethanone;hydrochloride (PubChem CID 13365885) has the molecular formula C9H9ClF3NO and a molecular weight of 239.62 g/mol. Its IUPAC name is 2-amino-1-[3-(trifluoromethyl)phenyl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-1-[3-(trifluoromethyl)phenyl]ethanone;hydrochloride
PubChem CID13365885
Molecular FormulaC9H9ClF3NO
Molecular Weight239.62 g/mol
Exact Mass239.03
IUPAC Name2-amino-1-[3-(trifluoromethyl)phenyl]ethanone;hydrochloride
SMILESCl.NCC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H8F3NO.ClH/c10-9(11,12)7-3-1-2-6(4-7)8(14)5-13;/h1-4H,5,13H2;1H
InChIKeyHEPPSEJUYWXQJV-UHFFFAOYSA-N
XLogP2.27
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.62
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(trifluoromethyl)phenyl]ethanone;hydrochloride?
The IUPAC name of 2-amino-1-[3-(trifluoromethyl)phenyl]ethanone;hydrochloride (CID 13365885) is 2-amino-1-[3-(trifluoromethyl)phenyl]ethanone;hydrochloride.
What is the SMILES notation for 2-amino-1-[3-(trifluoromethyl)phenyl]ethanone;hydrochloride?
The canonical SMILES for 2-amino-1-[3-(trifluoromethyl)phenyl]ethanone;hydrochloride is Cl.NCC(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-amino-1-[3-(trifluoromethyl)phenyl]ethanone;hydrochloride?
The InChIKey is HEPPSEJUYWXQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO.ClH/c10-9(11,12)7-3-1-2-6(4-7)8(14)5-13;/h1-4H,5,13H2;1H.
What are the key properties of 2-amino-1-[3-(trifluoromethyl)phenyl]ethanone;hydrochloride?
2-amino-1-[3-(trifluoromethyl)phenyl]ethanone;hydrochloride has a molecular weight of 239.62 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(trifluoromethyl)phenyl]ethanone;hydrochloride is sourced from PubChem (CID 13365885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).