3-ethyl-6-fluoro-1-pentylindole

C15H20FN — CID 143347565

IUPAC3-ethyl-6-fluoro-1-pentylindole
SMILESCCCCCn1cc(CC)c2ccc(F)cc21
InChIInChI=1S/C15H20FN/c1-3-5-6-9-17-11-12(4-2)14-8-7-13(16)10-15(14)17/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyRGJBIHBHDWGGJV-UHFFFAOYSA-N
MW233.33 g/mol
LogP4.53
Rot. Bonds5

About 3-ethyl-6-fluoro-1-pentylindole

3-ethyl-6-fluoro-1-pentylindole (PubChem CID 143347565) has the molecular formula C15H20FN and a molecular weight of 233.33 g/mol. Its IUPAC name is 3-ethyl-6-fluoro-1-pentylindole.

Molecular Properties

Compound Name3-ethyl-6-fluoro-1-pentylindole
PubChem CID143347565
Molecular FormulaC15H20FN
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC Name3-ethyl-6-fluoro-1-pentylindole
SMILESCCCCCn1cc(CC)c2ccc(F)cc21
InChIInChI=1S/C15H20FN/c1-3-5-6-9-17-11-12(4-2)14-8-7-13(16)10-15(14)17/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyRGJBIHBHDWGGJV-UHFFFAOYSA-N
XLogP4.53
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-ethyl-6-fluoro-1-pentylindole?
The IUPAC name of 3-ethyl-6-fluoro-1-pentylindole (CID 143347565) is 3-ethyl-6-fluoro-1-pentylindole.
What is the SMILES notation for 3-ethyl-6-fluoro-1-pentylindole?
The canonical SMILES for 3-ethyl-6-fluoro-1-pentylindole is CCCCCn1cc(CC)c2ccc(F)cc21.
What is the InChIKey of 3-ethyl-6-fluoro-1-pentylindole?
The InChIKey is RGJBIHBHDWGGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN/c1-3-5-6-9-17-11-12(4-2)14-8-7-13(16)10-15(14)17/h7-8,10-11H,3-6,9H2,1-2H3.
What are the key properties of 3-ethyl-6-fluoro-1-pentylindole?
3-ethyl-6-fluoro-1-pentylindole has a molecular weight of 233.33 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-fluoro-1-pentylindole is sourced from PubChem (CID 143347565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).