ethyl 5-fluoro-4-methyl-9H-carbazole-2-carboxylate

C16H14FNO2 — CID 59626434

IUPACethyl 5-fluoro-4-methyl-9H-carbazole-2-carboxylate
SMILESCCOC(=O)c1cc(C)c2c(c1)[nH]c1cccc(F)c12
InChIInChI=1S/C16H14FNO2/c1-3-20-16(19)10-7-9(2)14-13(8-10)18-12-6-4-5-11(17)15(12)14/h4-8,18H,3H2,1-2H3
InChIKeyVTFVBCHBWAIBQF-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.95
Rot. Bonds2

About ethyl 5-fluoro-4-methyl-9H-carbazole-2-carboxylate

ethyl 5-fluoro-4-methyl-9H-carbazole-2-carboxylate (PubChem CID 59626434) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is ethyl 5-fluoro-4-methyl-9H-carbazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-fluoro-4-methyl-9H-carbazole-2-carboxylate
PubChem CID59626434
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Nameethyl 5-fluoro-4-methyl-9H-carbazole-2-carboxylate
SMILESCCOC(=O)c1cc(C)c2c(c1)[nH]c1cccc(F)c12
InChIInChI=1S/C16H14FNO2/c1-3-20-16(19)10-7-9(2)14-13(8-10)18-12-6-4-5-11(17)15(12)14/h4-8,18H,3H2,1-2H3
InChIKeyVTFVBCHBWAIBQF-UHFFFAOYSA-N
XLogP3.95
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-fluoro-4-methyl-9H-carbazole-2-carboxylate?
The IUPAC name of ethyl 5-fluoro-4-methyl-9H-carbazole-2-carboxylate (CID 59626434) is ethyl 5-fluoro-4-methyl-9H-carbazole-2-carboxylate.
What is the SMILES notation for ethyl 5-fluoro-4-methyl-9H-carbazole-2-carboxylate?
The canonical SMILES for ethyl 5-fluoro-4-methyl-9H-carbazole-2-carboxylate is CCOC(=O)c1cc(C)c2c(c1)[nH]c1cccc(F)c12.
What is the InChIKey of ethyl 5-fluoro-4-methyl-9H-carbazole-2-carboxylate?
The InChIKey is VTFVBCHBWAIBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c1-3-20-16(19)10-7-9(2)14-13(8-10)18-12-6-4-5-11(17)15(12)14/h4-8,18H,3H2,1-2H3.
What are the key properties of ethyl 5-fluoro-4-methyl-9H-carbazole-2-carboxylate?
ethyl 5-fluoro-4-methyl-9H-carbazole-2-carboxylate has a molecular weight of 271.29 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-fluoro-4-methyl-9H-carbazole-2-carboxylate is sourced from PubChem (CID 59626434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).