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

C12H11BrFN — CID 106985505

IUPAC7-bromo-3-cyclobutyl-5-fluoro-1H-indole
SMILESFc1cc(Br)c2[nH]cc(C3CCC3)c2c1
InChIInChI=1S/C12H11BrFN/c13-11-5-8(14)4-9-10(6-15-12(9)11)7-2-1-3-7/h4-7,15H,1-3H2
InChIKeyIVXNWBRULKXRIC-UHFFFAOYSA-N
MW268.13 g/mol
LogP4.34
Rot. Bonds1

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

7-bromo-3-cyclobutyl-5-fluoro-1H-indole (PubChem CID 106985505) has the molecular formula C12H11BrFN and a molecular weight of 268.13 g/mol. Its IUPAC name is 7-bromo-3-cyclobutyl-5-fluoro-1H-indole.

Molecular Properties

Compound Name7-bromo-3-cyclobutyl-5-fluoro-1H-indole
PubChem CID106985505
Molecular FormulaC12H11BrFN
Molecular Weight268.13 g/mol
Exact Mass267.01
IUPAC Name7-bromo-3-cyclobutyl-5-fluoro-1H-indole
SMILESFc1cc(Br)c2[nH]cc(C3CCC3)c2c1
InChIInChI=1S/C12H11BrFN/c13-11-5-8(14)4-9-10(6-15-12(9)11)7-2-1-3-7/h4-7,15H,1-3H2
InChIKeyIVXNWBRULKXRIC-UHFFFAOYSA-N
XLogP4.34
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.13
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-cyclobutyl-5-fluoro-1H-indole?
The IUPAC name of 7-bromo-3-cyclobutyl-5-fluoro-1H-indole (CID 106985505) is 7-bromo-3-cyclobutyl-5-fluoro-1H-indole.
What is the SMILES notation for 7-bromo-3-cyclobutyl-5-fluoro-1H-indole?
The canonical SMILES for 7-bromo-3-cyclobutyl-5-fluoro-1H-indole is Fc1cc(Br)c2[nH]cc(C3CCC3)c2c1.
What is the InChIKey of 7-bromo-3-cyclobutyl-5-fluoro-1H-indole?
The InChIKey is IVXNWBRULKXRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN/c13-11-5-8(14)4-9-10(6-15-12(9)11)7-2-1-3-7/h4-7,15H,1-3H2.
What are the key properties of 7-bromo-3-cyclobutyl-5-fluoro-1H-indole?
7-bromo-3-cyclobutyl-5-fluoro-1H-indole has a molecular weight of 268.13 g/mol, XLogP of 4.34, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-cyclobutyl-5-fluoro-1H-indole is sourced from PubChem (CID 106985505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).