2-fluoro-6-octyl-6H-indole

C16H22FN — CID 174981021

IUPAC2-fluoro-6-octyl-6H-indole
SMILESCCCCCCCCC1C=CC2=CC(F)=NC2=C1
InChIInChI=1S/C16H22FN/c1-2-3-4-5-6-7-8-13-9-10-14-12-16(17)18-15(14)11-13/h9-13H,2-8H2,1H3
InChIKeySZNLXFQSHKLSJV-UHFFFAOYSA-N
MW247.36 g/mol
LogP5.11
Rot. Bonds7

About 2-fluoro-6-octyl-6H-indole

2-fluoro-6-octyl-6H-indole (PubChem CID 174981021) has the molecular formula C16H22FN and a molecular weight of 247.36 g/mol. Its IUPAC name is 2-fluoro-6-octyl-6H-indole.

Molecular Properties

Compound Name2-fluoro-6-octyl-6H-indole
PubChem CID174981021
Molecular FormulaC16H22FN
Molecular Weight247.36 g/mol
Exact Mass247.17
IUPAC Name2-fluoro-6-octyl-6H-indole
SMILESCCCCCCCCC1C=CC2=CC(F)=NC2=C1
InChIInChI=1S/C16H22FN/c1-2-3-4-5-6-7-8-13-9-10-14-12-16(17)18-15(14)11-13/h9-13H,2-8H2,1H3
InChIKeySZNLXFQSHKLSJV-UHFFFAOYSA-N
XLogP5.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.36
LogP ≤ 55.11
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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Related Compounds

3-ethyl-2,4-dimethyl-6-(trifluoromethyl)-4,5-dihydro-3H-indole
CID 155258766
(7Z,9Z,11E)-8-fluoro-9-methyl-N-[(Z)-pent-2-en-3-yl]-7-propan-2-yltrideca-7,9,11-trien-3-imine
CID 174349263
2,3-difluoro-6-octyl-6H-indole
CID 175158863
3-cyclohexyl-2-methyl-6H-indole
CID 69721405
3-cyclopentyl-2-methyl-6H-indole
CID 69721720
2-Methylidene-4-pentyl-4,5,6,7-tetrahydroindole
CID 70432920
1-(2-ethylhexyl)-1H-benzo[a]carbazole
CID 123864090
2-methyl-7-[(4-methylcyclooctyl)methyl]-8H-cyclohepta[b]pyridine
CID 167263870
2-chloro-6-octyl-6H-indole
CID 174981016
5-methyl-4-octyl-4H-carbazole
CID 19384574

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-octyl-6H-indole?
The IUPAC name of 2-fluoro-6-octyl-6H-indole (CID 174981021) is 2-fluoro-6-octyl-6H-indole.
What is the SMILES notation for 2-fluoro-6-octyl-6H-indole?
The canonical SMILES for 2-fluoro-6-octyl-6H-indole is CCCCCCCCC1C=CC2=CC(F)=NC2=C1.
What is the InChIKey of 2-fluoro-6-octyl-6H-indole?
The InChIKey is SZNLXFQSHKLSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN/c1-2-3-4-5-6-7-8-13-9-10-14-12-16(17)18-15(14)11-13/h9-13H,2-8H2,1H3.
What are the key properties of 2-fluoro-6-octyl-6H-indole?
2-fluoro-6-octyl-6H-indole has a molecular weight of 247.36 g/mol, XLogP of 5.11, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-octyl-6H-indole is sourced from PubChem (CID 174981021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).