10-(5-bromo-4-fluoro-2-methylphenyl)-6,10-diazaspiro[4.6]undecane

C16H22BrFN2 — CID 107594271

IUPAC10-(5-bromo-4-fluoro-2-methylphenyl)-6,10-diazaspiro[4.6]undecane
SMILESCc1cc(F)c(Br)cc1N1CCCNC2(CCCC2)C1
InChIInChI=1S/C16H22BrFN2/c1-12-9-14(18)13(17)10-15(12)20-8-4-7-19-16(11-20)5-2-3-6-16/h9-10,19H,2-8,11H2,1H3
InChIKeyBVMLSEAKWMAHIG-UHFFFAOYSA-N
MW341.27 g/mol
LogP4.01
Rot. Bonds1

About 10-(5-bromo-4-fluoro-2-methylphenyl)-6,10-diazaspiro[4.6]undecane

10-(5-bromo-4-fluoro-2-methylphenyl)-6,10-diazaspiro[4.6]undecane (PubChem CID 107594271) has the molecular formula C16H22BrFN2 and a molecular weight of 341.27 g/mol. Its IUPAC name is 10-(5-bromo-4-fluoro-2-methylphenyl)-6,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name10-(5-bromo-4-fluoro-2-methylphenyl)-6,10-diazaspiro[4.6]undecane
PubChem CID107594271
Molecular FormulaC16H22BrFN2
Molecular Weight341.27 g/mol
Exact Mass340.10
IUPAC Name10-(5-bromo-4-fluoro-2-methylphenyl)-6,10-diazaspiro[4.6]undecane
SMILESCc1cc(F)c(Br)cc1N1CCCNC2(CCCC2)C1
InChIInChI=1S/C16H22BrFN2/c1-12-9-14(18)13(17)10-15(12)20-8-4-7-19-16(11-20)5-2-3-6-16/h9-10,19H,2-8,11H2,1H3
InChIKeyBVMLSEAKWMAHIG-UHFFFAOYSA-N
XLogP4.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.27
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-(5-bromo-4-fluoro-2-methylphenyl)-6,10-diazaspiro[4.6]undecane?
The IUPAC name of 10-(5-bromo-4-fluoro-2-methylphenyl)-6,10-diazaspiro[4.6]undecane (CID 107594271) is 10-(5-bromo-4-fluoro-2-methylphenyl)-6,10-diazaspiro[4.6]undecane.
What is the SMILES notation for 10-(5-bromo-4-fluoro-2-methylphenyl)-6,10-diazaspiro[4.6]undecane?
The canonical SMILES for 10-(5-bromo-4-fluoro-2-methylphenyl)-6,10-diazaspiro[4.6]undecane is Cc1cc(F)c(Br)cc1N1CCCNC2(CCCC2)C1.
What is the InChIKey of 10-(5-bromo-4-fluoro-2-methylphenyl)-6,10-diazaspiro[4.6]undecane?
The InChIKey is BVMLSEAKWMAHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrFN2/c1-12-9-14(18)13(17)10-15(12)20-8-4-7-19-16(11-20)5-2-3-6-16/h9-10,19H,2-8,11H2,1H3.
What are the key properties of 10-(5-bromo-4-fluoro-2-methylphenyl)-6,10-diazaspiro[4.6]undecane?
10-(5-bromo-4-fluoro-2-methylphenyl)-6,10-diazaspiro[4.6]undecane has a molecular weight of 341.27 g/mol, XLogP of 4.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(5-bromo-4-fluoro-2-methylphenyl)-6,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 107594271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).