ethyl 2-(8-bromo-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetate

C16H17BrFNO2 — CID 59641990

IUPACethyl 2-(8-bromo-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetate
SMILESCCOC(=O)CC1CCCc2c1[nH]c1c(Br)cc(F)cc21
InChIInChI=1S/C16H17BrFNO2/c1-2-21-14(20)6-9-4-3-5-11-12-7-10(18)8-13(17)16(12)19-15(9)11/h7-9,19H,2-6H2,1H3
InChIKeyONEDUWXTBNIPAZ-UHFFFAOYSA-N
MW354.22 g/mol
LogP4.44
Rot. Bonds3

About ethyl 2-(8-bromo-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetate

ethyl 2-(8-bromo-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetate (PubChem CID 59641990) has the molecular formula C16H17BrFNO2 and a molecular weight of 354.22 g/mol. Its IUPAC name is ethyl 2-(8-bromo-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(8-bromo-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetate
PubChem CID59641990
Molecular FormulaC16H17BrFNO2
Molecular Weight354.22 g/mol
Exact Mass353.04
IUPAC Nameethyl 2-(8-bromo-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetate
SMILESCCOC(=O)CC1CCCc2c1[nH]c1c(Br)cc(F)cc21
InChIInChI=1S/C16H17BrFNO2/c1-2-21-14(20)6-9-4-3-5-11-12-7-10(18)8-13(17)16(12)19-15(9)11/h7-9,19H,2-6H2,1H3
InChIKeyONEDUWXTBNIPAZ-UHFFFAOYSA-N
XLogP4.44
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.22
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(8-bromo-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetate?
The IUPAC name of ethyl 2-(8-bromo-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetate (CID 59641990) is ethyl 2-(8-bromo-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetate.
What is the SMILES notation for ethyl 2-(8-bromo-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetate?
The canonical SMILES for ethyl 2-(8-bromo-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetate is CCOC(=O)CC1CCCc2c1[nH]c1c(Br)cc(F)cc21.
What is the InChIKey of ethyl 2-(8-bromo-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetate?
The InChIKey is ONEDUWXTBNIPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO2/c1-2-21-14(20)6-9-4-3-5-11-12-7-10(18)8-13(17)16(12)19-15(9)11/h7-9,19H,2-6H2,1H3.
What are the key properties of ethyl 2-(8-bromo-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetate?
ethyl 2-(8-bromo-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetate has a molecular weight of 354.22 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(8-bromo-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetate is sourced from PubChem (CID 59641990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).