1-[5-amino-4-methyl-2-(trifluoromethyl)phenyl]ethanone

C10H10F3NO — CID 131369725

IUPAC1-[5-amino-4-methyl-2-(trifluoromethyl)phenyl]ethanone
SMILESCC(=O)c1cc(N)c(C)cc1C(F)(F)F
InChIInChI=1S/C10H10F3NO/c1-5-3-8(10(11,12)13)7(6(2)15)4-9(5)14/h3-4H,14H2,1-2H3
InChIKeyIXDWZTPXJKKAMJ-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.80
Rot. Bonds1

About 1-[5-amino-4-methyl-2-(trifluoromethyl)phenyl]ethanone

1-[5-amino-4-methyl-2-(trifluoromethyl)phenyl]ethanone (PubChem CID 131369725) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is 1-[5-amino-4-methyl-2-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[5-amino-4-methyl-2-(trifluoromethyl)phenyl]ethanone
PubChem CID131369725
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name1-[5-amino-4-methyl-2-(trifluoromethyl)phenyl]ethanone
SMILESCC(=O)c1cc(N)c(C)cc1C(F)(F)F
InChIInChI=1S/C10H10F3NO/c1-5-3-8(10(11,12)13)7(6(2)15)4-9(5)14/h3-4H,14H2,1-2H3
InChIKeyIXDWZTPXJKKAMJ-UHFFFAOYSA-N
XLogP2.80
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4,5-dimethyl-2-(trifluoromethyl)phenyl]ethanone
CID 131384993
1-[4-chloro-5-methyl-2-(trifluoromethyl)phenyl]ethanone
CID 171003757
1-[5-hydroxy-2-methyl-4-(trifluoromethyl)phenyl]ethanone
CID 171027201
1-[4-amino-5-ethoxy-2-(trifluoromethyl)phenyl]ethanone
CID 171026594
1-[2,4-dimethyl-5-(trifluoromethyl)phenyl]ethanone
CID 131384997
1-[4-bromo-5-fluoro-2-(trifluoromethyl)phenyl]ethanone
CID 131353929
1-[5-amino-2-(difluoromethyl)-4-methylphenyl]ethanone
CID 170996780
4-acetyl-2-methyl-5-(trifluoromethyl)benzonitrile
CID 131623525
2,5-bis(trifluoromethyl)benzene-1,4-diamine;2,5-dimethylbenzene-1,4-diamine
CID 162540560
1-[5-fluoro-4-hydroxy-2-(trifluoromethyl)phenyl]ethanone
CID 171016157
1-[2-amino-3-methyl-5-(trifluoromethyl)phenyl]ethanone
CID 131296470
1-[4-amino-3-methyl-5-(trifluoromethyl)phenyl]ethanone
CID 121399584

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-4-methyl-2-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[5-amino-4-methyl-2-(trifluoromethyl)phenyl]ethanone (CID 131369725) is 1-[5-amino-4-methyl-2-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[5-amino-4-methyl-2-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[5-amino-4-methyl-2-(trifluoromethyl)phenyl]ethanone is CC(=O)c1cc(N)c(C)cc1C(F)(F)F.
What is the InChIKey of 1-[5-amino-4-methyl-2-(trifluoromethyl)phenyl]ethanone?
The InChIKey is IXDWZTPXJKKAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c1-5-3-8(10(11,12)13)7(6(2)15)4-9(5)14/h3-4H,14H2,1-2H3.
What are the key properties of 1-[5-amino-4-methyl-2-(trifluoromethyl)phenyl]ethanone?
1-[5-amino-4-methyl-2-(trifluoromethyl)phenyl]ethanone has a molecular weight of 217.19 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-4-methyl-2-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 131369725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).