7-bromo-3-(cyclobutylmethyl)-5-fluoro-1H-indole

C13H13BrFN — CID 106985524

IUPAC7-bromo-3-(cyclobutylmethyl)-5-fluoro-1H-indole
SMILESFc1cc(Br)c2[nH]cc(CC3CCC3)c2c1
InChIInChI=1S/C13H13BrFN/c14-12-6-10(15)5-11-9(7-16-13(11)12)4-8-2-1-3-8/h5-8,16H,1-4H2
InChIKeyBKWJNPYYRDPLOQ-UHFFFAOYSA-N
MW282.16 g/mol
LogP4.41
Rot. Bonds2

About 7-bromo-3-(cyclobutylmethyl)-5-fluoro-1H-indole

7-bromo-3-(cyclobutylmethyl)-5-fluoro-1H-indole (PubChem CID 106985524) has the molecular formula C13H13BrFN and a molecular weight of 282.16 g/mol. Its IUPAC name is 7-bromo-3-(cyclobutylmethyl)-5-fluoro-1H-indole.

Molecular Properties

Compound Name7-bromo-3-(cyclobutylmethyl)-5-fluoro-1H-indole
PubChem CID106985524
Molecular FormulaC13H13BrFN
Molecular Weight282.16 g/mol
Exact Mass281.02
IUPAC Name7-bromo-3-(cyclobutylmethyl)-5-fluoro-1H-indole
SMILESFc1cc(Br)c2[nH]cc(CC3CCC3)c2c1
InChIInChI=1S/C13H13BrFN/c14-12-6-10(15)5-11-9(7-16-13(11)12)4-8-2-1-3-8/h5-8,16H,1-4H2
InChIKeyBKWJNPYYRDPLOQ-UHFFFAOYSA-N
XLogP4.41
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.16
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(cyclobutylmethyl)-5-fluoro-1H-indole?
The IUPAC name of 7-bromo-3-(cyclobutylmethyl)-5-fluoro-1H-indole (CID 106985524) is 7-bromo-3-(cyclobutylmethyl)-5-fluoro-1H-indole.
What is the SMILES notation for 7-bromo-3-(cyclobutylmethyl)-5-fluoro-1H-indole?
The canonical SMILES for 7-bromo-3-(cyclobutylmethyl)-5-fluoro-1H-indole is Fc1cc(Br)c2[nH]cc(CC3CCC3)c2c1.
What is the InChIKey of 7-bromo-3-(cyclobutylmethyl)-5-fluoro-1H-indole?
The InChIKey is BKWJNPYYRDPLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN/c14-12-6-10(15)5-11-9(7-16-13(11)12)4-8-2-1-3-8/h5-8,16H,1-4H2.
What are the key properties of 7-bromo-3-(cyclobutylmethyl)-5-fluoro-1H-indole?
7-bromo-3-(cyclobutylmethyl)-5-fluoro-1H-indole has a molecular weight of 282.16 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(cyclobutylmethyl)-5-fluoro-1H-indole is sourced from PubChem (CID 106985524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).