6-fluoro-1-nonylindole

C17H24FN — CID 116619867

IUPAC6-fluoro-1-nonylindole
SMILESCCCCCCCCCn1ccc2ccc(F)cc21
InChIInChI=1S/C17H24FN/c1-2-3-4-5-6-7-8-12-19-13-11-15-9-10-16(18)14-17(15)19/h9-11,13-14H,2-8,12H2,1H3
InChIKeyLZIZUTJEWSZSAP-UHFFFAOYSA-N
MW261.38 g/mol
LogP5.53
Rot. Bonds8

About 6-fluoro-1-nonylindole

6-fluoro-1-nonylindole (PubChem CID 116619867) has the molecular formula C17H24FN and a molecular weight of 261.38 g/mol. Its IUPAC name is 6-fluoro-1-nonylindole.

Molecular Properties

Compound Name6-fluoro-1-nonylindole
PubChem CID116619867
Molecular FormulaC17H24FN
Molecular Weight261.38 g/mol
Exact Mass261.19
IUPAC Name6-fluoro-1-nonylindole
SMILESCCCCCCCCCn1ccc2ccc(F)cc21
InChIInChI=1S/C17H24FN/c1-2-3-4-5-6-7-8-12-19-13-11-15-9-10-16(18)14-17(15)19/h9-11,13-14H,2-8,12H2,1H3
InChIKeyLZIZUTJEWSZSAP-UHFFFAOYSA-N
XLogP5.53
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.38
LogP ≤ 55.53
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 6-fluoro-1-nonylindole?
The IUPAC name of 6-fluoro-1-nonylindole (CID 116619867) is 6-fluoro-1-nonylindole.
What is the SMILES notation for 6-fluoro-1-nonylindole?
The canonical SMILES for 6-fluoro-1-nonylindole is CCCCCCCCCn1ccc2ccc(F)cc21.
What is the InChIKey of 6-fluoro-1-nonylindole?
The InChIKey is LZIZUTJEWSZSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN/c1-2-3-4-5-6-7-8-12-19-13-11-15-9-10-16(18)14-17(15)19/h9-11,13-14H,2-8,12H2,1H3.
What are the key properties of 6-fluoro-1-nonylindole?
6-fluoro-1-nonylindole has a molecular weight of 261.38 g/mol, XLogP of 5.53, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-nonylindole is sourced from PubChem (CID 116619867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).