ethyl 2-butyl-6-fluoroindole-1-carboxylate

C15H18FNO2 — CID 102168540

IUPACethyl 2-butyl-6-fluoroindole-1-carboxylate
SMILESCCCCc1cc2ccc(F)cc2n1C(=O)OCC
InChIInChI=1S/C15H18FNO2/c1-3-5-6-13-9-11-7-8-12(16)10-14(11)17(13)15(18)19-4-2/h7-10H,3-6H2,1-2H3
InChIKeyFIDRKYXAJDATHS-UHFFFAOYSA-N
MW263.31 g/mol
LogP4.13
Rot. Bonds4

About ethyl 2-butyl-6-fluoroindole-1-carboxylate

ethyl 2-butyl-6-fluoroindole-1-carboxylate (PubChem CID 102168540) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is ethyl 2-butyl-6-fluoroindole-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-butyl-6-fluoroindole-1-carboxylate
PubChem CID102168540
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Nameethyl 2-butyl-6-fluoroindole-1-carboxylate
SMILESCCCCc1cc2ccc(F)cc2n1C(=O)OCC
InChIInChI=1S/C15H18FNO2/c1-3-5-6-13-9-11-7-8-12(16)10-14(11)17(13)15(18)19-4-2/h7-10H,3-6H2,1-2H3
InChIKeyFIDRKYXAJDATHS-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-butyl-6-fluoroindole-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-octylindol-1-yl)ethanone
CID 16726259
1-[2-butyl-5-(trifluoromethyl)indol-1-yl]ethanone
CID 11161872
ethyl 6-fluoro-1-methylbenzimidazole-2-carboxylate
CID 63357942
ethyl 2-hydroxy-6-phenylindole-1-carboxylate
CID 57179740
dibutyl 4-fluorobenzene-1,2-dicarboxylate
CID 23502472
butyl 3-(5-fluoro-3-methylindol-1-yl)azetidine-1-carboxylate
CID 175895806
ethyl 2-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)propanoate
CID 79474644
ethyl 2-amino-2-(1-ethyl-6-fluoroindol-3-yl)acetate
CID 115073283
ethyl 5-fluoro-1-methylindole-2-carboxylate
CID 10775338
6-fluoro-1-nonylindole
CID 116619867
2-(6-fluoroindol-1-yl)-1-(2-methylphenyl)ethanone
CID 62023950
6-bromo-2-(2-ethoxy-2-oxoethyl)indole-1-carboxylic acid
CID 170350589

Frequently Asked Questions

What is the IUPAC name of ethyl 2-butyl-6-fluoroindole-1-carboxylate?
The IUPAC name of ethyl 2-butyl-6-fluoroindole-1-carboxylate (CID 102168540) is ethyl 2-butyl-6-fluoroindole-1-carboxylate.
What is the SMILES notation for ethyl 2-butyl-6-fluoroindole-1-carboxylate?
The canonical SMILES for ethyl 2-butyl-6-fluoroindole-1-carboxylate is CCCCc1cc2ccc(F)cc2n1C(=O)OCC.
What is the InChIKey of ethyl 2-butyl-6-fluoroindole-1-carboxylate?
The InChIKey is FIDRKYXAJDATHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-3-5-6-13-9-11-7-8-12(16)10-14(11)17(13)15(18)19-4-2/h7-10H,3-6H2,1-2H3.
What are the key properties of ethyl 2-butyl-6-fluoroindole-1-carboxylate?
ethyl 2-butyl-6-fluoroindole-1-carboxylate has a molecular weight of 263.31 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-butyl-6-fluoroindole-1-carboxylate is sourced from PubChem (CID 102168540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).