2-methyl-2-[1-methyl-7-(trifluoromethyl)indol-2-yl]propanoic acid

C14H14F3NO2 — CID 117196565

IUPAC2-methyl-2-[1-methyl-7-(trifluoromethyl)indol-2-yl]propanoic acid
SMILESCn1c(C(C)(C)C(=O)O)cc2cccc(C(F)(F)F)c21
InChIInChI=1S/C14H14F3NO2/c1-13(2,12(19)20)10-7-8-5-4-6-9(14(15,16)17)11(8)18(10)3/h4-7H,1-3H3,(H,19,20)
InChIKeyAHNDVRJOWWIOML-UHFFFAOYSA-N
MW285.26 g/mol
LogP3.56
Rot. Bonds2

About 2-methyl-2-[1-methyl-7-(trifluoromethyl)indol-2-yl]propanoic acid

2-methyl-2-[1-methyl-7-(trifluoromethyl)indol-2-yl]propanoic acid (PubChem CID 117196565) has the molecular formula C14H14F3NO2 and a molecular weight of 285.26 g/mol. Its IUPAC name is 2-methyl-2-[1-methyl-7-(trifluoromethyl)indol-2-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[1-methyl-7-(trifluoromethyl)indol-2-yl]propanoic acid
PubChem CID117196565
Molecular FormulaC14H14F3NO2
Molecular Weight285.26 g/mol
Exact Mass285.10
IUPAC Name2-methyl-2-[1-methyl-7-(trifluoromethyl)indol-2-yl]propanoic acid
SMILESCn1c(C(C)(C)C(=O)O)cc2cccc(C(F)(F)F)c21
InChIInChI=1S/C14H14F3NO2/c1-13(2,12(19)20)10-7-8-5-4-6-9(14(15,16)17)11(8)18(10)3/h4-7H,1-3H3,(H,19,20)
InChIKeyAHNDVRJOWWIOML-UHFFFAOYSA-N
XLogP3.56
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,2-dimethylindol-7-yl)-2-methylpropanoic acid
CID 117205205
2-[1-methyl-7-(trifluoromethyl)indol-2-yl]propanoic acid
CID 117196564
2-(8-fluoro-1-methyl-2-oxoquinolin-3-yl)-2-methylpropanoic acid
CID 84639153
2-(1-ethyl-7-hydroxyindol-2-yl)-2-methylpropanoic acid
CID 117197219
1-[1-methyl-7-(trifluoromethyl)indol-2-yl]propan-2-ol
CID 117196538
2-(1-ethyl-7-methylindol-2-yl)-2-methylpropanoic acid
CID 117196706
2-[1-ethyl-7-(trifluoromethyl)indol-3-yl]-2-methylpropanoic acid
CID 117197367
2-(7-chloro-1-ethylindol-2-yl)-2-methylpropanoic acid
CID 117196983
3-[1-methyl-7-(trifluoromethyl)indol-2-yl]propan-1-amine
CID 83919994
2-(1-ethyl-2-methylindol-7-yl)-2-methylpropanoic acid
CID 117205210
3-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]propanoic acid
CID 117196621
1-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]ethanol
CID 117196585

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[1-methyl-7-(trifluoromethyl)indol-2-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[1-methyl-7-(trifluoromethyl)indol-2-yl]propanoic acid (CID 117196565) is 2-methyl-2-[1-methyl-7-(trifluoromethyl)indol-2-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[1-methyl-7-(trifluoromethyl)indol-2-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[1-methyl-7-(trifluoromethyl)indol-2-yl]propanoic acid is Cn1c(C(C)(C)C(=O)O)cc2cccc(C(F)(F)F)c21.
What is the InChIKey of 2-methyl-2-[1-methyl-7-(trifluoromethyl)indol-2-yl]propanoic acid?
The InChIKey is AHNDVRJOWWIOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO2/c1-13(2,12(19)20)10-7-8-5-4-6-9(14(15,16)17)11(8)18(10)3/h4-7H,1-3H3,(H,19,20).
What are the key properties of 2-methyl-2-[1-methyl-7-(trifluoromethyl)indol-2-yl]propanoic acid?
2-methyl-2-[1-methyl-7-(trifluoromethyl)indol-2-yl]propanoic acid has a molecular weight of 285.26 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[1-methyl-7-(trifluoromethyl)indol-2-yl]propanoic acid is sourced from PubChem (CID 117196565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).