7-bromo-5-fluorospiro[1H-indole-3,1'-cyclobutane]-2-one

C11H9BrFNO — CID 106702087

IUPAC7-bromo-5-fluorospiro[1H-indole-3,1'-cyclobutane]-2-one
SMILESO=C1Nc2c(Br)cc(F)cc2C12CCC2
InChIInChI=1S/C11H9BrFNO/c12-8-5-6(13)4-7-9(8)14-10(15)11(7)2-1-3-11/h4-5H,1-3H2,(H,14,15)
InChIKeyQGJLCAVHLODNQU-UHFFFAOYSA-N
MW270.10 g/mol
LogP2.96
Rot. Bonds

About 7-bromo-5-fluorospiro[1H-indole-3,1'-cyclobutane]-2-one

7-bromo-5-fluorospiro[1H-indole-3,1'-cyclobutane]-2-one (PubChem CID 106702087) has the molecular formula C11H9BrFNO and a molecular weight of 270.10 g/mol. Its IUPAC name is 7-bromo-5-fluorospiro[1H-indole-3,1'-cyclobutane]-2-one.

Molecular Properties

Compound Name7-bromo-5-fluorospiro[1H-indole-3,1'-cyclobutane]-2-one
PubChem CID106702087
Molecular FormulaC11H9BrFNO
Molecular Weight270.10 g/mol
Exact Mass268.99
IUPAC Name7-bromo-5-fluorospiro[1H-indole-3,1'-cyclobutane]-2-one
SMILESO=C1Nc2c(Br)cc(F)cc2C12CCC2
InChIInChI=1S/C11H9BrFNO/c12-8-5-6(13)4-7-9(8)14-10(15)11(7)2-1-3-11/h4-5H,1-3H2,(H,14,15)
InChIKeyQGJLCAVHLODNQU-UHFFFAOYSA-N
XLogP2.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.10
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-fluorospiro[1H-indole-3,1'-cyclobutane]-2-one?
The IUPAC name of 7-bromo-5-fluorospiro[1H-indole-3,1'-cyclobutane]-2-one (CID 106702087) is 7-bromo-5-fluorospiro[1H-indole-3,1'-cyclobutane]-2-one.
What is the SMILES notation for 7-bromo-5-fluorospiro[1H-indole-3,1'-cyclobutane]-2-one?
The canonical SMILES for 7-bromo-5-fluorospiro[1H-indole-3,1'-cyclobutane]-2-one is O=C1Nc2c(Br)cc(F)cc2C12CCC2.
What is the InChIKey of 7-bromo-5-fluorospiro[1H-indole-3,1'-cyclobutane]-2-one?
The InChIKey is QGJLCAVHLODNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFNO/c12-8-5-6(13)4-7-9(8)14-10(15)11(7)2-1-3-11/h4-5H,1-3H2,(H,14,15).
What are the key properties of 7-bromo-5-fluorospiro[1H-indole-3,1'-cyclobutane]-2-one?
7-bromo-5-fluorospiro[1H-indole-3,1'-cyclobutane]-2-one has a molecular weight of 270.10 g/mol, XLogP of 2.96, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-fluorospiro[1H-indole-3,1'-cyclobutane]-2-one is sourced from PubChem (CID 106702087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).