3-cyclobutyl-4-fluoro-1H-indole

C12H12FN — CID 86277821

IUPAC3-cyclobutyl-4-fluoro-1H-indole
SMILESFc1cccc2[nH]cc(C3CCC3)c12
InChIInChI=1S/C12H12FN/c13-10-5-2-6-11-12(10)9(7-14-11)8-3-1-4-8/h2,5-8,14H,1,3-4H2
InChIKeyZAYYSXJKTZLNEV-UHFFFAOYSA-N
MW189.23 g/mol
LogP3.57
Rot. Bonds1

About 3-cyclobutyl-4-fluoro-1H-indole

3-cyclobutyl-4-fluoro-1H-indole (PubChem CID 86277821) has the molecular formula C12H12FN and a molecular weight of 189.23 g/mol. Its IUPAC name is 3-cyclobutyl-4-fluoro-1H-indole.

Molecular Properties

Compound Name3-cyclobutyl-4-fluoro-1H-indole
PubChem CID86277821
Molecular FormulaC12H12FN
Molecular Weight189.23 g/mol
Exact Mass189.10
IUPAC Name3-cyclobutyl-4-fluoro-1H-indole
SMILESFc1cccc2[nH]cc(C3CCC3)c12
InChIInChI=1S/C12H12FN/c13-10-5-2-6-11-12(10)9(7-14-11)8-3-1-4-8/h2,5-8,14H,1,3-4H2
InChIKeyZAYYSXJKTZLNEV-UHFFFAOYSA-N
XLogP3.57
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-4-fluoro-1H-indole?
The IUPAC name of 3-cyclobutyl-4-fluoro-1H-indole (CID 86277821) is 3-cyclobutyl-4-fluoro-1H-indole.
What is the SMILES notation for 3-cyclobutyl-4-fluoro-1H-indole?
The canonical SMILES for 3-cyclobutyl-4-fluoro-1H-indole is Fc1cccc2[nH]cc(C3CCC3)c12.
What is the InChIKey of 3-cyclobutyl-4-fluoro-1H-indole?
The InChIKey is ZAYYSXJKTZLNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN/c13-10-5-2-6-11-12(10)9(7-14-11)8-3-1-4-8/h2,5-8,14H,1,3-4H2.
What are the key properties of 3-cyclobutyl-4-fluoro-1H-indole?
3-cyclobutyl-4-fluoro-1H-indole has a molecular weight of 189.23 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-4-fluoro-1H-indole is sourced from PubChem (CID 86277821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).