7-bromo-5-fluoro-3-octyl-1H-indole

C16H21BrFN — CID 106984996

IUPAC7-bromo-5-fluoro-3-octyl-1H-indole
SMILESCCCCCCCCc1c[nH]c2c(Br)cc(F)cc12
InChIInChI=1S/C16H21BrFN/c1-2-3-4-5-6-7-8-12-11-19-16-14(12)9-13(18)10-15(16)17/h9-11,19H,2-8H2,1H3
InChIKeyWTMOHMIJQINKDM-UHFFFAOYSA-N
MW326.25 g/mol
LogP5.97
Rot. Bonds7

About 7-bromo-5-fluoro-3-octyl-1H-indole

7-bromo-5-fluoro-3-octyl-1H-indole (PubChem CID 106984996) has the molecular formula C16H21BrFN and a molecular weight of 326.25 g/mol. Its IUPAC name is 7-bromo-5-fluoro-3-octyl-1H-indole.

Molecular Properties

Compound Name7-bromo-5-fluoro-3-octyl-1H-indole
PubChem CID106984996
Molecular FormulaC16H21BrFN
Molecular Weight326.25 g/mol
Exact Mass325.08
IUPAC Name7-bromo-5-fluoro-3-octyl-1H-indole
SMILESCCCCCCCCc1c[nH]c2c(Br)cc(F)cc12
InChIInChI=1S/C16H21BrFN/c1-2-3-4-5-6-7-8-12-11-19-16-14(12)9-13(18)10-15(16)17/h9-11,19H,2-8H2,1H3
InChIKeyWTMOHMIJQINKDM-UHFFFAOYSA-N
XLogP5.97
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.25
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(7-bromo-5-fluoro-1H-indol-3-yl)methanamine
CID 83899533
5,7-dichloro-3-octyl-1H-indole
CID 106984988
7-bromo-3-(cyclobutylmethyl)-5-fluoro-1H-indole
CID 106985524
7-bromo-5-fluoro-3-pentyl-1-benzofuran
CID 22144746
N-[3-(5-fluoro-1H-indol-3-yl)propyl]pentan-1-amine
CID 141110811
7-bromo-5-fluoro-3-propan-2-yl-1H-indole
CID 106985590
1,4-dibromo-2-hexyl-5-pentylbenzene
CID 146208294
3-heptyl-1H-indole
CID 15360907
3-butyl-7-fluoro-1H-indole
CID 106985261
1,3,5-trifluoro-2-heptylbenzene
CID 59545279
3,5-dibromo-N-ethyl-4-[(3-pentyl-1H-indol-5-yl)oxy]aniline
CID 91803945
2-(5,7-dibromo-1H-indol-3-yl)ethanamine
CID 15274384

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-fluoro-3-octyl-1H-indole?
The IUPAC name of 7-bromo-5-fluoro-3-octyl-1H-indole (CID 106984996) is 7-bromo-5-fluoro-3-octyl-1H-indole.
What is the SMILES notation for 7-bromo-5-fluoro-3-octyl-1H-indole?
The canonical SMILES for 7-bromo-5-fluoro-3-octyl-1H-indole is CCCCCCCCc1c[nH]c2c(Br)cc(F)cc12.
What is the InChIKey of 7-bromo-5-fluoro-3-octyl-1H-indole?
The InChIKey is WTMOHMIJQINKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrFN/c1-2-3-4-5-6-7-8-12-11-19-16-14(12)9-13(18)10-15(16)17/h9-11,19H,2-8H2,1H3.
What are the key properties of 7-bromo-5-fluoro-3-octyl-1H-indole?
7-bromo-5-fluoro-3-octyl-1H-indole has a molecular weight of 326.25 g/mol, XLogP of 5.97, 7 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-fluoro-3-octyl-1H-indole is sourced from PubChem (CID 106984996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).