5-(4-bromo-2-fluoro-5-methylphenyl)-5-azaspiro[2.3]hexane

C12H13BrFN — CID 130562717

IUPAC5-(4-bromo-2-fluoro-5-methylphenyl)-5-azaspiro[2.3]hexane
SMILESCc1cc(N2CC3(CC3)C2)c(F)cc1Br
InChIInChI=1S/C12H13BrFN/c1-8-4-11(10(14)5-9(8)13)15-6-12(7-15)2-3-12/h4-5H,2-3,6-7H2,1H3
InChIKeyWXSZVQFQWYPVCM-UHFFFAOYSA-N
MW270.14 g/mol
LogP3.50
Rot. Bonds1

About 5-(4-bromo-2-fluoro-5-methylphenyl)-5-azaspiro[2.3]hexane

5-(4-bromo-2-fluoro-5-methylphenyl)-5-azaspiro[2.3]hexane (PubChem CID 130562717) has the molecular formula C12H13BrFN and a molecular weight of 270.14 g/mol. Its IUPAC name is 5-(4-bromo-2-fluoro-5-methylphenyl)-5-azaspiro[2.3]hexane.

Molecular Properties

Compound Name5-(4-bromo-2-fluoro-5-methylphenyl)-5-azaspiro[2.3]hexane
PubChem CID130562717
Molecular FormulaC12H13BrFN
Molecular Weight270.14 g/mol
Exact Mass269.02
IUPAC Name5-(4-bromo-2-fluoro-5-methylphenyl)-5-azaspiro[2.3]hexane
SMILESCc1cc(N2CC3(CC3)C2)c(F)cc1Br
InChIInChI=1S/C12H13BrFN/c1-8-4-11(10(14)5-9(8)13)15-6-12(7-15)2-3-12/h4-5H,2-3,6-7H2,1H3
InChIKeyWXSZVQFQWYPVCM-UHFFFAOYSA-N
XLogP3.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.14
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-bromo-4-fluoro-2-methylphenyl)-2-azaspiro[3.5]nonane
CID 107592764
2-(2-bromo-5-chloro-4-methylphenyl)-2-azaspiro[3.4]octane
CID 104724350
3-(5-azaspiro[2.3]hexan-5-yl)-4-fluorobenzoic acid
CID 79694414
5-(5-iodo-2-methylphenyl)-5-azaspiro[2.3]hexane
CID 130498028
1-(5-bromo-4-fluoro-2-methylphenyl)-3,3-dimethoxyazetidine
CID 107592763
4-fluoro-5-(7-oxo-2-azaspiro[3.5]nonan-2-yl)phthalaldehyde
CID 169257457
5-(2-azaspiro[3.3]heptan-2-yl)-2,4-dimethylaniline
CID 104757870
1-(5-bromo-4-fluoro-2-methylphenyl)-3,3-dipropylazetidine
CID 107592747
4-(aminomethyl)-1-(4-bromo-2-fluoro-5-methylphenyl)pyrrolidin-2-one
CID 168659759
1-(4-bromo-2-fluoro-5-methylphenyl)-4-ethynylpyrrolidin-2-one
CID 168501058
4-bromo-2-fluoro-5-methylaniline;ethane
CID 177009828
4-(5-azaspiro[2.3]hexan-5-yl)-3-methylbenzoic acid
CID 79687571

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-fluoro-5-methylphenyl)-5-azaspiro[2.3]hexane?
The IUPAC name of 5-(4-bromo-2-fluoro-5-methylphenyl)-5-azaspiro[2.3]hexane (CID 130562717) is 5-(4-bromo-2-fluoro-5-methylphenyl)-5-azaspiro[2.3]hexane.
What is the SMILES notation for 5-(4-bromo-2-fluoro-5-methylphenyl)-5-azaspiro[2.3]hexane?
The canonical SMILES for 5-(4-bromo-2-fluoro-5-methylphenyl)-5-azaspiro[2.3]hexane is Cc1cc(N2CC3(CC3)C2)c(F)cc1Br.
What is the InChIKey of 5-(4-bromo-2-fluoro-5-methylphenyl)-5-azaspiro[2.3]hexane?
The InChIKey is WXSZVQFQWYPVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFN/c1-8-4-11(10(14)5-9(8)13)15-6-12(7-15)2-3-12/h4-5H,2-3,6-7H2,1H3.
What are the key properties of 5-(4-bromo-2-fluoro-5-methylphenyl)-5-azaspiro[2.3]hexane?
5-(4-bromo-2-fluoro-5-methylphenyl)-5-azaspiro[2.3]hexane has a molecular weight of 270.14 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-fluoro-5-methylphenyl)-5-azaspiro[2.3]hexane is sourced from PubChem (CID 130562717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).