ethyl 1-(2,4-difluorophenyl)indole-2-carboxylate

C17H13F2NO2 — CID 19820205

IUPACethyl 1-(2,4-difluorophenyl)indole-2-carboxylate
SMILESCCOC(=O)c1cc2ccccc2n1-c1ccc(F)cc1F
InChIInChI=1S/C17H13F2NO2/c1-2-22-17(21)16-9-11-5-3-4-6-14(11)20(16)15-8-7-12(18)10-13(15)19/h3-10H,2H2,1H3
InChIKeyXQRQUQRQNDYADP-UHFFFAOYSA-N
MW301.29 g/mol
LogP4.09
Rot. Bonds3

About ethyl 1-(2,4-difluorophenyl)indole-2-carboxylate

ethyl 1-(2,4-difluorophenyl)indole-2-carboxylate (PubChem CID 19820205) has the molecular formula C17H13F2NO2 and a molecular weight of 301.29 g/mol. Its IUPAC name is ethyl 1-(2,4-difluorophenyl)indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2,4-difluorophenyl)indole-2-carboxylate
PubChem CID19820205
Molecular FormulaC17H13F2NO2
Molecular Weight301.29 g/mol
Exact Mass301.09
IUPAC Nameethyl 1-(2,4-difluorophenyl)indole-2-carboxylate
SMILESCCOC(=O)c1cc2ccccc2n1-c1ccc(F)cc1F
InChIInChI=1S/C17H13F2NO2/c1-2-22-17(21)16-9-11-5-3-4-6-14(11)20(16)15-8-7-12(18)10-13(15)19/h3-10H,2H2,1H3
InChIKeyXQRQUQRQNDYADP-UHFFFAOYSA-N
XLogP4.09
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-[(3,5-difluorophenyl)methyl]indole-2-carboxylate
CID 143638283
ethyl 1-(difluoromethyl)indole-2-carboxylate
CID 56618852
ethyl 5-fluoro-1-methylindole-2-carboxylate
CID 10775338
ethyl 6-chloro-5-fluoro-1-phenylindole-2-carboxylate
CID 155377277
ethyl 1-prop-2-enylindole-2-carboxylate
CID 10398929
ethyl 1-[(2,2,2-trifluoroacetyl)amino]indole-2-carboxylate
CID 119084453
ethyl 1-[(4-methylphenyl)methyl]indole-2-carboxylate
CID 155536959
ethyl 1-(benzenesulfonyl)indole-2-carboxylate
CID 506886
ethyl 5-fluoro-1-(2-methylpropyl)indole-2-carboxylate
CID 146348691
ethyl 1-[(7-fluoronaphthalen-1-yl)methyl]-5-methylindole-2-carboxylate
CID 68580497
ethyl 1-(3-naphthalen-1-yloxypropyl)indole-2-carboxylate
CID 90082821
ethyl 4-fluoro-1-methylindole-2-carboxylate
CID 171397337

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2,4-difluorophenyl)indole-2-carboxylate?
The IUPAC name of ethyl 1-(2,4-difluorophenyl)indole-2-carboxylate (CID 19820205) is ethyl 1-(2,4-difluorophenyl)indole-2-carboxylate.
What is the SMILES notation for ethyl 1-(2,4-difluorophenyl)indole-2-carboxylate?
The canonical SMILES for ethyl 1-(2,4-difluorophenyl)indole-2-carboxylate is CCOC(=O)c1cc2ccccc2n1-c1ccc(F)cc1F.
What is the InChIKey of ethyl 1-(2,4-difluorophenyl)indole-2-carboxylate?
The InChIKey is XQRQUQRQNDYADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2NO2/c1-2-22-17(21)16-9-11-5-3-4-6-14(11)20(16)15-8-7-12(18)10-13(15)19/h3-10H,2H2,1H3.
What are the key properties of ethyl 1-(2,4-difluorophenyl)indole-2-carboxylate?
ethyl 1-(2,4-difluorophenyl)indole-2-carboxylate has a molecular weight of 301.29 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2,4-difluorophenyl)indole-2-carboxylate is sourced from PubChem (CID 19820205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).