ethyl 7-[2-(trifluoromethoxy)phenyl]-1H-indole-2-carboxylate

C18H14F3NO3 — CID 171663080

IUPACethyl 7-[2-(trifluoromethoxy)phenyl]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cccc(-c3ccccc3OC(F)(F)F)c2[nH]1
InChIInChI=1S/C18H14F3NO3/c1-2-24-17(23)14-10-11-6-5-8-13(16(11)22-14)12-7-3-4-9-15(12)25-18(19,20)21/h3-10,22H,2H2,1H3
InChIKeyKFZDZEOGXNOIOG-UHFFFAOYSA-N
MW349.31 g/mol
LogP4.91
Rot. Bonds4

About ethyl 7-[2-(trifluoromethoxy)phenyl]-1H-indole-2-carboxylate

ethyl 7-[2-(trifluoromethoxy)phenyl]-1H-indole-2-carboxylate (PubChem CID 171663080) has the molecular formula C18H14F3NO3 and a molecular weight of 349.31 g/mol. Its IUPAC name is ethyl 7-[2-(trifluoromethoxy)phenyl]-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-[2-(trifluoromethoxy)phenyl]-1H-indole-2-carboxylate
PubChem CID171663080
Molecular FormulaC18H14F3NO3
Molecular Weight349.31 g/mol
Exact Mass349.09
IUPAC Nameethyl 7-[2-(trifluoromethoxy)phenyl]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cccc(-c3ccccc3OC(F)(F)F)c2[nH]1
InChIInChI=1S/C18H14F3NO3/c1-2-24-17(23)14-10-11-6-5-8-13(16(11)22-14)12-7-3-4-9-15(12)25-18(19,20)21/h3-10,22H,2H2,1H3
InChIKeyKFZDZEOGXNOIOG-UHFFFAOYSA-N
XLogP4.91
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 7-(4-fluorophenyl)-1H-indole-2-carboxylate
CID 142425833
ethyl 7-methyl-1H-indole-2-carboxylate
CID 1235155
ethyl 7-(4-chlorophenyl)-1H-indole-2-carboxylate
CID 171663092
ethyl 7-(4-methoxyphenoxy)-1H-indole-2-carboxylate
CID 19042831
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
acetyl chloride;ethyl 7-acetyl-1H-indole-2-carboxylate
CID 161410841
ethyl 2-hydroxy-4-[2-(trifluoromethoxy)phenyl]benzoate
CID 134633108
ethyl 2-hydroxy-5-[2-(trifluoromethoxy)phenyl]benzoate
CID 134633451
ethyl 7-prop-2-enyl-1H-indole-2-carboxylate
CID 10398931
ethyl 2-methoxy-6-(trifluoromethoxy)benzoate
CID 170997101
ethyl 7-(phenylmethoxycarbonylamino)-1H-indole-2-carboxylate
CID 86612303
7-(2,5-dimethylphenyl)-1H-indole-2-carboxylic acid
CID 169084297

Frequently Asked Questions

What is the IUPAC name of ethyl 7-[2-(trifluoromethoxy)phenyl]-1H-indole-2-carboxylate?
The IUPAC name of ethyl 7-[2-(trifluoromethoxy)phenyl]-1H-indole-2-carboxylate (CID 171663080) is ethyl 7-[2-(trifluoromethoxy)phenyl]-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 7-[2-(trifluoromethoxy)phenyl]-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 7-[2-(trifluoromethoxy)phenyl]-1H-indole-2-carboxylate is CCOC(=O)c1cc2cccc(-c3ccccc3OC(F)(F)F)c2[nH]1.
What is the InChIKey of ethyl 7-[2-(trifluoromethoxy)phenyl]-1H-indole-2-carboxylate?
The InChIKey is KFZDZEOGXNOIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NO3/c1-2-24-17(23)14-10-11-6-5-8-13(16(11)22-14)12-7-3-4-9-15(12)25-18(19,20)21/h3-10,22H,2H2,1H3.
What are the key properties of ethyl 7-[2-(trifluoromethoxy)phenyl]-1H-indole-2-carboxylate?
ethyl 7-[2-(trifluoromethoxy)phenyl]-1H-indole-2-carboxylate has a molecular weight of 349.31 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[2-(trifluoromethoxy)phenyl]-1H-indole-2-carboxylate is sourced from PubChem (CID 171663080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).