5-ethoxy-1-ethyl-2-(trifluoromethyl)indole-3-carboxylic acid

C14H14F3NO3 — CID 82036474

IUPAC5-ethoxy-1-ethyl-2-(trifluoromethyl)indole-3-carboxylic acid
SMILESCCOc1ccc2c(c1)c(C(=O)O)c(C(F)(F)F)n2CC
InChIInChI=1S/C14H14F3NO3/c1-3-18-10-6-5-8(21-4-2)7-9(10)11(13(19)20)12(18)14(15,16)17/h5-7H,3-4H2,1-2H3,(H,19,20)
InChIKeyBMQIYIHGSATLPT-UHFFFAOYSA-N
MW301.26 g/mol
LogP3.78
Rot. Bonds4

About 5-ethoxy-1-ethyl-2-(trifluoromethyl)indole-3-carboxylic acid

5-ethoxy-1-ethyl-2-(trifluoromethyl)indole-3-carboxylic acid (PubChem CID 82036474) has the molecular formula C14H14F3NO3 and a molecular weight of 301.26 g/mol. Its IUPAC name is 5-ethoxy-1-ethyl-2-(trifluoromethyl)indole-3-carboxylic acid.

Molecular Properties

Compound Name5-ethoxy-1-ethyl-2-(trifluoromethyl)indole-3-carboxylic acid
PubChem CID82036474
Molecular FormulaC14H14F3NO3
Molecular Weight301.26 g/mol
Exact Mass301.09
IUPAC Name5-ethoxy-1-ethyl-2-(trifluoromethyl)indole-3-carboxylic acid
SMILESCCOc1ccc2c(c1)c(C(=O)O)c(C(F)(F)F)n2CC
InChIInChI=1S/C14H14F3NO3/c1-3-18-10-6-5-8(21-4-2)7-9(10)11(13(19)20)12(18)14(15,16)17/h5-7H,3-4H2,1-2H3,(H,19,20)
InChIKeyBMQIYIHGSATLPT-UHFFFAOYSA-N
XLogP3.78
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(4-chlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone
CID 67243006
5-ethoxy-1-ethylindole-2-carboxylic acid
CID 69018922
2-[1-[(2,4-dichlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-2-oxo-N-pyrimidin-2-ylacetamide
CID 68911625
1-[1-benzyl-5-methoxy-2-(trifluoromethyl)indol-3-yl]-2,2,2-trifluoroethanone
CID 162714678
(E)-3-(2-chloro-5-ethoxy-1-ethylindol-3-yl)prop-2-enoic acid
CID 82268930
2-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]butanoic acid
CID 110497828
1-[2-chloro-5-ethoxy-1-(2-methylpropyl)indol-3-yl]ethanone
CID 82268944
5-ethoxy-3-methyl-1-prop-2-ynylindole-2-carboxylic acid
CID 83969413
5-ethoxy-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-indole-3-carboxylic acid
CID 174788683
[1-[(4-chlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone;[1-[(4-chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone;[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone
CID 87661328
5-ethoxy-1-ethyl-N,3-dimethyl-N-phenylindole-2-carboxamide
CID 110499074
[1-ethyl-2-methyl-5-(trifluoromethoxy)indol-3-yl]-(4-methylphenyl)methanone
CID 162552113

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-ethyl-2-(trifluoromethyl)indole-3-carboxylic acid?
The IUPAC name of 5-ethoxy-1-ethyl-2-(trifluoromethyl)indole-3-carboxylic acid (CID 82036474) is 5-ethoxy-1-ethyl-2-(trifluoromethyl)indole-3-carboxylic acid.
What is the SMILES notation for 5-ethoxy-1-ethyl-2-(trifluoromethyl)indole-3-carboxylic acid?
The canonical SMILES for 5-ethoxy-1-ethyl-2-(trifluoromethyl)indole-3-carboxylic acid is CCOc1ccc2c(c1)c(C(=O)O)c(C(F)(F)F)n2CC.
What is the InChIKey of 5-ethoxy-1-ethyl-2-(trifluoromethyl)indole-3-carboxylic acid?
The InChIKey is BMQIYIHGSATLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO3/c1-3-18-10-6-5-8(21-4-2)7-9(10)11(13(19)20)12(18)14(15,16)17/h5-7H,3-4H2,1-2H3,(H,19,20).
What are the key properties of 5-ethoxy-1-ethyl-2-(trifluoromethyl)indole-3-carboxylic acid?
5-ethoxy-1-ethyl-2-(trifluoromethyl)indole-3-carboxylic acid has a molecular weight of 301.26 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-ethyl-2-(trifluoromethyl)indole-3-carboxylic acid is sourced from PubChem (CID 82036474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).