2,3-difluoro-6-octyl-6H-indole

C16H21F2N — CID 175158863

IUPAC2,3-difluoro-6-octyl-6H-indole
SMILESCCCCCCCCC1C=CC2=C(F)C(F)=NC2=C1
InChIInChI=1S/C16H21F2N/c1-2-3-4-5-6-7-8-12-9-10-13-14(11-12)19-16(18)15(13)17/h9-12H,2-8H2,1H3
InChIKeyCPGCSTPGFHMZBE-UHFFFAOYSA-N
MW265.35 g/mol
LogP5.41
Rot. Bonds7

About 2,3-difluoro-6-octyl-6H-indole

2,3-difluoro-6-octyl-6H-indole (PubChem CID 175158863) has the molecular formula C16H21F2N and a molecular weight of 265.35 g/mol. Its IUPAC name is 2,3-difluoro-6-octyl-6H-indole.

Molecular Properties

Compound Name2,3-difluoro-6-octyl-6H-indole
PubChem CID175158863
Molecular FormulaC16H21F2N
Molecular Weight265.35 g/mol
Exact Mass265.16
IUPAC Name2,3-difluoro-6-octyl-6H-indole
SMILESCCCCCCCCC1C=CC2=C(F)C(F)=NC2=C1
InChIInChI=1S/C16H21F2N/c1-2-3-4-5-6-7-8-12-9-10-13-14(11-12)19-16(18)15(13)17/h9-12H,2-8H2,1H3
InChIKeyCPGCSTPGFHMZBE-UHFFFAOYSA-N
XLogP5.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.35
LogP ≤ 55.41
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 2,3-difluoro-6-octyl-6H-indole?
The IUPAC name of 2,3-difluoro-6-octyl-6H-indole (CID 175158863) is 2,3-difluoro-6-octyl-6H-indole.
What is the SMILES notation for 2,3-difluoro-6-octyl-6H-indole?
The canonical SMILES for 2,3-difluoro-6-octyl-6H-indole is CCCCCCCCC1C=CC2=C(F)C(F)=NC2=C1.
What is the InChIKey of 2,3-difluoro-6-octyl-6H-indole?
The InChIKey is CPGCSTPGFHMZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N/c1-2-3-4-5-6-7-8-12-9-10-13-14(11-12)19-16(18)15(13)17/h9-12H,2-8H2,1H3.
What are the key properties of 2,3-difluoro-6-octyl-6H-indole?
2,3-difluoro-6-octyl-6H-indole has a molecular weight of 265.35 g/mol, XLogP of 5.41, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-6-octyl-6H-indole is sourced from PubChem (CID 175158863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).