ethyl 5-fluoro-1-(2-methylpropyl)indole-2-carboxylate

C15H18FNO2 — CID 146348691

IUPACethyl 5-fluoro-1-(2-methylpropyl)indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(F)ccc2n1CC(C)C
InChIInChI=1S/C15H18FNO2/c1-4-19-15(18)14-8-11-7-12(16)5-6-13(11)17(14)9-10(2)3/h5-8,10H,4,9H2,1-3H3
InChIKeyKZQVKJMNLZUHPY-UHFFFAOYSA-N
MW263.31 g/mol
LogP3.61
Rot. Bonds4

About ethyl 5-fluoro-1-(2-methylpropyl)indole-2-carboxylate

ethyl 5-fluoro-1-(2-methylpropyl)indole-2-carboxylate (PubChem CID 146348691) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is ethyl 5-fluoro-1-(2-methylpropyl)indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-fluoro-1-(2-methylpropyl)indole-2-carboxylate
PubChem CID146348691
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Nameethyl 5-fluoro-1-(2-methylpropyl)indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(F)ccc2n1CC(C)C
InChIInChI=1S/C15H18FNO2/c1-4-19-15(18)14-8-11-7-12(16)5-6-13(11)17(14)9-10(2)3/h5-8,10H,4,9H2,1-3H3
InChIKeyKZQVKJMNLZUHPY-UHFFFAOYSA-N
XLogP3.61
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-fluoro-1-(2-methylpropyl)indole-2-carboxylate?
The IUPAC name of ethyl 5-fluoro-1-(2-methylpropyl)indole-2-carboxylate (CID 146348691) is ethyl 5-fluoro-1-(2-methylpropyl)indole-2-carboxylate.
What is the SMILES notation for ethyl 5-fluoro-1-(2-methylpropyl)indole-2-carboxylate?
The canonical SMILES for ethyl 5-fluoro-1-(2-methylpropyl)indole-2-carboxylate is CCOC(=O)c1cc2cc(F)ccc2n1CC(C)C.
What is the InChIKey of ethyl 5-fluoro-1-(2-methylpropyl)indole-2-carboxylate?
The InChIKey is KZQVKJMNLZUHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-4-19-15(18)14-8-11-7-12(16)5-6-13(11)17(14)9-10(2)3/h5-8,10H,4,9H2,1-3H3.
What are the key properties of ethyl 5-fluoro-1-(2-methylpropyl)indole-2-carboxylate?
ethyl 5-fluoro-1-(2-methylpropyl)indole-2-carboxylate has a molecular weight of 263.31 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-fluoro-1-(2-methylpropyl)indole-2-carboxylate is sourced from PubChem (CID 146348691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).