1-[5-amino-2-(trifluoromethyl)indol-1-yl]-2,2-dimethylpropan-1-one

C14H15F3N2O — CID 112534151

IUPAC1-[5-amino-2-(trifluoromethyl)indol-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)n1c(C(F)(F)F)cc2cc(N)ccc21
InChIInChI=1S/C14H15F3N2O/c1-13(2,3)12(20)19-10-5-4-9(18)6-8(10)7-11(19)14(15,16)17/h4-7H,18H2,1-3H3
InChIKeyLWISSDLFPUMJSZ-UHFFFAOYSA-N
MW284.28 g/mol
LogP3.93
Rot. Bonds

About 1-[5-amino-2-(trifluoromethyl)indol-1-yl]-2,2-dimethylpropan-1-one

1-[5-amino-2-(trifluoromethyl)indol-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 112534151) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is 1-[5-amino-2-(trifluoromethyl)indol-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[5-amino-2-(trifluoromethyl)indol-1-yl]-2,2-dimethylpropan-1-one
PubChem CID112534151
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name1-[5-amino-2-(trifluoromethyl)indol-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)n1c(C(F)(F)F)cc2cc(N)ccc21
InChIInChI=1S/C14H15F3N2O/c1-13(2,3)12(20)19-10-5-4-9(18)6-8(10)7-11(19)14(15,16)17/h4-7H,18H2,1-3H3
InChIKeyLWISSDLFPUMJSZ-UHFFFAOYSA-N
XLogP3.93
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[5-amino-2-(trifluoromethyl)indol-1-yl]-(3-methylphenyl)methanone
CID 112534114
1-[5-amino-2-(trifluoromethyl)indol-1-yl]-2-(4-chlorophenyl)ethanone
CID 112534129
[5-amino-2-(trifluoromethyl)indol-1-yl]-(3-chlorophenyl)methanone
CID 112534117
[5-amino-2-(trifluoromethyl)indol-1-yl]-(4-methoxy-3-methylphenyl)methanone
CID 112534167
1-[5-amino-2-(trifluoromethyl)indol-1-yl]-2-(furan-2-yl)ethanone
CID 112534085
5-amino-3-(2,2-dimethylpropanoyl)-1-methylbenzimidazol-2-one
CID 110721661
1-[5-amino-2-(trifluoromethyl)indol-1-yl]-3-(1,3-benzodioxol-5-yl)propan-1-one
CID 112534203
3-[5-amino-2-(trifluoromethyl)benzimidazol-1-yl]-3-methylbutanamide
CID 106098518
1-(2,2-difluoropropyl)indol-5-amine
CID 165472066
1-[2-methyl-5-(trifluoromethyl)indol-1-yl]ethanone
CID 72547489
ethyl 3-[5-amino-1-(2-hydroxyethyl)indol-2-yl]-3-methylbutanoate
CID 143559171
1-(2-aminobenzimidazol-1-yl)-2,2-dimethylpropan-1-one
CID 87845510

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-2-(trifluoromethyl)indol-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[5-amino-2-(trifluoromethyl)indol-1-yl]-2,2-dimethylpropan-1-one (CID 112534151) is 1-[5-amino-2-(trifluoromethyl)indol-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[5-amino-2-(trifluoromethyl)indol-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[5-amino-2-(trifluoromethyl)indol-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)n1c(C(F)(F)F)cc2cc(N)ccc21.
What is the InChIKey of 1-[5-amino-2-(trifluoromethyl)indol-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is LWISSDLFPUMJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c1-13(2,3)12(20)19-10-5-4-9(18)6-8(10)7-11(19)14(15,16)17/h4-7H,18H2,1-3H3.
What are the key properties of 1-[5-amino-2-(trifluoromethyl)indol-1-yl]-2,2-dimethylpropan-1-one?
1-[5-amino-2-(trifluoromethyl)indol-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 284.28 g/mol, XLogP of 3.93, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-2-(trifluoromethyl)indol-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 112534151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).