3-butyl-7-fluoro-1H-indole

C12H14FN — CID 106985261

IUPAC3-butyl-7-fluoro-1H-indole
SMILESCCCCc1c[nH]c2c(F)cccc12
InChIInChI=1S/C12H14FN/c1-2-3-5-9-8-14-12-10(9)6-4-7-11(12)13/h4,6-8,14H,2-3,5H2,1H3
InChIKeySGDYHQKHBZQJGK-UHFFFAOYSA-N
MW191.25 g/mol
LogP3.65
Rot. Bonds3

About 3-butyl-7-fluoro-1H-indole

3-butyl-7-fluoro-1H-indole (PubChem CID 106985261) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is 3-butyl-7-fluoro-1H-indole.

Molecular Properties

Compound Name3-butyl-7-fluoro-1H-indole
PubChem CID106985261
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Name3-butyl-7-fluoro-1H-indole
SMILESCCCCc1c[nH]c2c(F)cccc12
InChIInChI=1S/C12H14FN/c1-2-3-5-9-8-14-12-10(9)6-4-7-11(12)13/h4,6-8,14H,2-3,5H2,1H3
InChIKeySGDYHQKHBZQJGK-UHFFFAOYSA-N
XLogP3.65
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-7-fluoro-1H-indole?
The IUPAC name of 3-butyl-7-fluoro-1H-indole (CID 106985261) is 3-butyl-7-fluoro-1H-indole.
What is the SMILES notation for 3-butyl-7-fluoro-1H-indole?
The canonical SMILES for 3-butyl-7-fluoro-1H-indole is CCCCc1c[nH]c2c(F)cccc12.
What is the InChIKey of 3-butyl-7-fluoro-1H-indole?
The InChIKey is SGDYHQKHBZQJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN/c1-2-3-5-9-8-14-12-10(9)6-4-7-11(12)13/h4,6-8,14H,2-3,5H2,1H3.
What are the key properties of 3-butyl-7-fluoro-1H-indole?
3-butyl-7-fluoro-1H-indole has a molecular weight of 191.25 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-7-fluoro-1H-indole is sourced from PubChem (CID 106985261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).