ethyl 2-methyl-2-[2-[3-(trifluoromethoxy)phenyl]-1H-indol-5-yl]propanoate

C21H20F3NO3 — CID 59272615

IUPACethyl 2-methyl-2-[2-[3-(trifluoromethoxy)phenyl]-1H-indol-5-yl]propanoate
SMILESCCOC(=O)C(C)(C)c1ccc2[nH]c(-c3cccc(OC(F)(F)F)c3)cc2c1
InChIInChI=1S/C21H20F3NO3/c1-4-27-19(26)20(2,3)15-8-9-17-14(10-15)12-18(25-17)13-6-5-7-16(11-13)28-21(22,23)24/h5-12,25H,4H2,1-3H3
InChIKeyIBIBVOYJZKGMHZ-UHFFFAOYSA-N
MW391.39 g/mol
LogP5.57
Rot. Bonds5

About ethyl 2-methyl-2-[2-[3-(trifluoromethoxy)phenyl]-1H-indol-5-yl]propanoate

ethyl 2-methyl-2-[2-[3-(trifluoromethoxy)phenyl]-1H-indol-5-yl]propanoate (PubChem CID 59272615) has the molecular formula C21H20F3NO3 and a molecular weight of 391.39 g/mol. Its IUPAC name is ethyl 2-methyl-2-[2-[3-(trifluoromethoxy)phenyl]-1H-indol-5-yl]propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-[2-[3-(trifluoromethoxy)phenyl]-1H-indol-5-yl]propanoate
PubChem CID59272615
Molecular FormulaC21H20F3NO3
Molecular Weight391.39 g/mol
Exact Mass391.14
IUPAC Nameethyl 2-methyl-2-[2-[3-(trifluoromethoxy)phenyl]-1H-indol-5-yl]propanoate
SMILESCCOC(=O)C(C)(C)c1ccc2[nH]c(-c3cccc(OC(F)(F)F)c3)cc2c1
InChIInChI=1S/C21H20F3NO3/c1-4-27-19(26)20(2,3)15-8-9-17-14(10-15)12-18(25-17)13-6-5-7-16(11-13)28-21(22,23)24/h5-12,25H,4H2,1-3H3
InChIKeyIBIBVOYJZKGMHZ-UHFFFAOYSA-N
XLogP5.57
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.39
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-methyl-2-[2-[3-(trifluoromethoxy)phenyl]-1H-indol-5-yl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-methyl-2-[2-(1,3-thiazol-2-yl)-1H-indol-5-yl]propanoate
CID 25100140
ethyl 5-[3-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxylate
CID 175986732
ethyl 2-(trifluoromethoxy)-4-[3-(trifluoromethoxy)phenyl]benzoate
CID 134632735
2-methyl-2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 176514248
ethyl 4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzoate
CID 134633502
ethyl 5-tert-butyl-1H-indole-2-carboxylate
CID 4714960
ethyl 2-methoxy-5-[3-(trifluoromethoxy)phenyl]benzoate
CID 134633459
ethyl 2-[2-(3-tert-butylphenoxy)-4-[3-(trifluoromethoxy)phenyl]phenoxy]acetate
CID 58008162
ethyl 5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboxylate
CID 156881456
ethyl 2-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropanoate
CID 107289959
ethyl 2-phenyl-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxylate
CID 170695775
ethyl 2,2-difluoro-2-naphthalen-2-ylacetate
CID 12585543

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-[2-[3-(trifluoromethoxy)phenyl]-1H-indol-5-yl]propanoate?
The IUPAC name of ethyl 2-methyl-2-[2-[3-(trifluoromethoxy)phenyl]-1H-indol-5-yl]propanoate (CID 59272615) is ethyl 2-methyl-2-[2-[3-(trifluoromethoxy)phenyl]-1H-indol-5-yl]propanoate.
What is the SMILES notation for ethyl 2-methyl-2-[2-[3-(trifluoromethoxy)phenyl]-1H-indol-5-yl]propanoate?
The canonical SMILES for ethyl 2-methyl-2-[2-[3-(trifluoromethoxy)phenyl]-1H-indol-5-yl]propanoate is CCOC(=O)C(C)(C)c1ccc2[nH]c(-c3cccc(OC(F)(F)F)c3)cc2c1.
What is the InChIKey of ethyl 2-methyl-2-[2-[3-(trifluoromethoxy)phenyl]-1H-indol-5-yl]propanoate?
The InChIKey is IBIBVOYJZKGMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3NO3/c1-4-27-19(26)20(2,3)15-8-9-17-14(10-15)12-18(25-17)13-6-5-7-16(11-13)28-21(22,23)24/h5-12,25H,4H2,1-3H3.
What are the key properties of ethyl 2-methyl-2-[2-[3-(trifluoromethoxy)phenyl]-1H-indol-5-yl]propanoate?
ethyl 2-methyl-2-[2-[3-(trifluoromethoxy)phenyl]-1H-indol-5-yl]propanoate has a molecular weight of 391.39 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-[2-[3-(trifluoromethoxy)phenyl]-1H-indol-5-yl]propanoate is sourced from PubChem (CID 59272615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).