ethyl 6-bromo-5-fluoro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylate

C15H15BrFNO2 — CID 141418528

IUPACethyl 6-bromo-5-fluoro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylate
SMILESCCOC(=O)C1CCc2c([nH]c3ccc(Br)c(F)c23)C1
InChIInChI=1S/C15H15BrFNO2/c1-2-20-15(19)8-3-4-9-12(7-8)18-11-6-5-10(16)14(17)13(9)11/h5-6,8,18H,2-4,7H2,1H3
InChIKeyXCWOPBJQRRDRQH-UHFFFAOYSA-N
MW340.19 g/mol
LogP3.74
Rot. Bonds2

About ethyl 6-bromo-5-fluoro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylate

ethyl 6-bromo-5-fluoro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylate (PubChem CID 141418528) has the molecular formula C15H15BrFNO2 and a molecular weight of 340.19 g/mol. Its IUPAC name is ethyl 6-bromo-5-fluoro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-bromo-5-fluoro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylate
PubChem CID141418528
Molecular FormulaC15H15BrFNO2
Molecular Weight340.19 g/mol
Exact Mass339.03
IUPAC Nameethyl 6-bromo-5-fluoro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylate
SMILESCCOC(=O)C1CCc2c([nH]c3ccc(Br)c(F)c23)C1
InChIInChI=1S/C15H15BrFNO2/c1-2-20-15(19)8-3-4-9-12(7-8)18-11-6-5-10(16)14(17)13(9)11/h5-6,8,18H,2-4,7H2,1H3
InChIKeyXCWOPBJQRRDRQH-UHFFFAOYSA-N
XLogP3.74
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.19
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-bromo-5-fluoro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylate?
The IUPAC name of ethyl 6-bromo-5-fluoro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylate (CID 141418528) is ethyl 6-bromo-5-fluoro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylate.
What is the SMILES notation for ethyl 6-bromo-5-fluoro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylate?
The canonical SMILES for ethyl 6-bromo-5-fluoro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylate is CCOC(=O)C1CCc2c([nH]c3ccc(Br)c(F)c23)C1.
What is the InChIKey of ethyl 6-bromo-5-fluoro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylate?
The InChIKey is XCWOPBJQRRDRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO2/c1-2-20-15(19)8-3-4-9-12(7-8)18-11-6-5-10(16)14(17)13(9)11/h5-6,8,18H,2-4,7H2,1H3.
What are the key properties of ethyl 6-bromo-5-fluoro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylate?
ethyl 6-bromo-5-fluoro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylate has a molecular weight of 340.19 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-bromo-5-fluoro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylate is sourced from PubChem (CID 141418528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).