methyl 1-(5-fluoropentyl)indole-3-carboxylate

C15H18FNO2 — CID 124518895

IUPACmethyl 1-(5-fluoropentyl)indole-3-carboxylate
SMILESCOC(=O)c1cn(CCCCCF)c2ccccc12
InChIInChI=1S/C15H18FNO2/c1-19-15(18)13-11-17(10-6-2-5-9-16)14-8-4-3-7-12(13)14/h3-4,7-8,11H,2,5-6,9-10H2,1H3
InChIKeyZTIFWEBSTLDAMT-UHFFFAOYSA-N
MW263.31 g/mol
LogP3.57
Rot. Bonds6

About methyl 1-(5-fluoropentyl)indole-3-carboxylate

methyl 1-(5-fluoropentyl)indole-3-carboxylate (PubChem CID 124518895) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is methyl 1-(5-fluoropentyl)indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-fluoropentyl)indole-3-carboxylate
PubChem CID124518895
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Namemethyl 1-(5-fluoropentyl)indole-3-carboxylate
SMILESCOC(=O)c1cn(CCCCCF)c2ccccc12
InChIInChI=1S/C15H18FNO2/c1-19-15(18)13-11-17(10-6-2-5-9-16)14-8-4-3-7-12(13)14/h3-4,7-8,11H,2,5-6,9-10H2,1H3
InChIKeyZTIFWEBSTLDAMT-UHFFFAOYSA-N
XLogP3.57
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-fluoropentyl)indole-3-carboxylate?
The IUPAC name of methyl 1-(5-fluoropentyl)indole-3-carboxylate (CID 124518895) is methyl 1-(5-fluoropentyl)indole-3-carboxylate.
What is the SMILES notation for methyl 1-(5-fluoropentyl)indole-3-carboxylate?
The canonical SMILES for methyl 1-(5-fluoropentyl)indole-3-carboxylate is COC(=O)c1cn(CCCCCF)c2ccccc12.
What is the InChIKey of methyl 1-(5-fluoropentyl)indole-3-carboxylate?
The InChIKey is ZTIFWEBSTLDAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-19-15(18)13-11-17(10-6-2-5-9-16)14-8-4-3-7-12(13)14/h3-4,7-8,11H,2,5-6,9-10H2,1H3.
What are the key properties of methyl 1-(5-fluoropentyl)indole-3-carboxylate?
methyl 1-(5-fluoropentyl)indole-3-carboxylate has a molecular weight of 263.31 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-fluoropentyl)indole-3-carboxylate is sourced from PubChem (CID 124518895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).