ethyl 4-(3,5-difluorophenoxy)-1H-indole-2-carboxylate

C17H13F2NO3 — CID 66841428

IUPACethyl 4-(3,5-difluorophenoxy)-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2c(Oc3cc(F)cc(F)c3)cccc2[nH]1
InChIInChI=1S/C17H13F2NO3/c1-2-22-17(21)15-9-13-14(20-15)4-3-5-16(13)23-12-7-10(18)6-11(19)8-12/h3-9,20H,2H2,1H3
InChIKeyXMDZQFRBADRJPY-UHFFFAOYSA-N
MW317.29 g/mol
LogP4.42
Rot. Bonds4

About ethyl 4-(3,5-difluorophenoxy)-1H-indole-2-carboxylate

ethyl 4-(3,5-difluorophenoxy)-1H-indole-2-carboxylate (PubChem CID 66841428) has the molecular formula C17H13F2NO3 and a molecular weight of 317.29 g/mol. Its IUPAC name is ethyl 4-(3,5-difluorophenoxy)-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3,5-difluorophenoxy)-1H-indole-2-carboxylate
PubChem CID66841428
Molecular FormulaC17H13F2NO3
Molecular Weight317.29 g/mol
Exact Mass317.09
IUPAC Nameethyl 4-(3,5-difluorophenoxy)-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2c(Oc3cc(F)cc(F)c3)cccc2[nH]1
InChIInChI=1S/C17H13F2NO3/c1-2-22-17(21)15-9-13-14(20-15)4-3-5-16(13)23-12-7-10(18)6-11(19)8-12/h3-9,20H,2H2,1H3
InChIKeyXMDZQFRBADRJPY-UHFFFAOYSA-N
XLogP4.42
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3,5-difluorophenoxy)-1H-indole-2-carboxylate?
The IUPAC name of ethyl 4-(3,5-difluorophenoxy)-1H-indole-2-carboxylate (CID 66841428) is ethyl 4-(3,5-difluorophenoxy)-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 4-(3,5-difluorophenoxy)-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 4-(3,5-difluorophenoxy)-1H-indole-2-carboxylate is CCOC(=O)c1cc2c(Oc3cc(F)cc(F)c3)cccc2[nH]1.
What is the InChIKey of ethyl 4-(3,5-difluorophenoxy)-1H-indole-2-carboxylate?
The InChIKey is XMDZQFRBADRJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2NO3/c1-2-22-17(21)15-9-13-14(20-15)4-3-5-16(13)23-12-7-10(18)6-11(19)8-12/h3-9,20H,2H2,1H3.
What are the key properties of ethyl 4-(3,5-difluorophenoxy)-1H-indole-2-carboxylate?
ethyl 4-(3,5-difluorophenoxy)-1H-indole-2-carboxylate has a molecular weight of 317.29 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3,5-difluorophenoxy)-1H-indole-2-carboxylate is sourced from PubChem (CID 66841428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).