2-(5-bromo-4-fluoro-2-methylphenyl)-2-azaspiro[3.5]nonane

C15H19BrFN — CID 107592764

IUPAC2-(5-bromo-4-fluoro-2-methylphenyl)-2-azaspiro[3.5]nonane
SMILESCc1cc(F)c(Br)cc1N1CC2(CCCCC2)C1
InChIInChI=1S/C15H19BrFN/c1-11-7-13(17)12(16)8-14(11)18-9-15(10-18)5-3-2-4-6-15/h7-8H,2-6,9-10H2,1H3
InChIKeyNCNVOVNFMHTMIZ-UHFFFAOYSA-N
MW312.23 g/mol
LogP4.67
Rot. Bonds1

About 2-(5-bromo-4-fluoro-2-methylphenyl)-2-azaspiro[3.5]nonane

2-(5-bromo-4-fluoro-2-methylphenyl)-2-azaspiro[3.5]nonane (PubChem CID 107592764) has the molecular formula C15H19BrFN and a molecular weight of 312.23 g/mol. Its IUPAC name is 2-(5-bromo-4-fluoro-2-methylphenyl)-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-(5-bromo-4-fluoro-2-methylphenyl)-2-azaspiro[3.5]nonane
PubChem CID107592764
Molecular FormulaC15H19BrFN
Molecular Weight312.23 g/mol
Exact Mass311.07
IUPAC Name2-(5-bromo-4-fluoro-2-methylphenyl)-2-azaspiro[3.5]nonane
SMILESCc1cc(F)c(Br)cc1N1CC2(CCCCC2)C1
InChIInChI=1S/C15H19BrFN/c1-11-7-13(17)12(16)8-14(11)18-9-15(10-18)5-3-2-4-6-15/h7-8H,2-6,9-10H2,1H3
InChIKeyNCNVOVNFMHTMIZ-UHFFFAOYSA-N
XLogP4.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.23
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-4-fluoro-2-methylphenyl)-2-azaspiro[3.5]nonane?
The IUPAC name of 2-(5-bromo-4-fluoro-2-methylphenyl)-2-azaspiro[3.5]nonane (CID 107592764) is 2-(5-bromo-4-fluoro-2-methylphenyl)-2-azaspiro[3.5]nonane.
What is the SMILES notation for 2-(5-bromo-4-fluoro-2-methylphenyl)-2-azaspiro[3.5]nonane?
The canonical SMILES for 2-(5-bromo-4-fluoro-2-methylphenyl)-2-azaspiro[3.5]nonane is Cc1cc(F)c(Br)cc1N1CC2(CCCCC2)C1.
What is the InChIKey of 2-(5-bromo-4-fluoro-2-methylphenyl)-2-azaspiro[3.5]nonane?
The InChIKey is NCNVOVNFMHTMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFN/c1-11-7-13(17)12(16)8-14(11)18-9-15(10-18)5-3-2-4-6-15/h7-8H,2-6,9-10H2,1H3.
What are the key properties of 2-(5-bromo-4-fluoro-2-methylphenyl)-2-azaspiro[3.5]nonane?
2-(5-bromo-4-fluoro-2-methylphenyl)-2-azaspiro[3.5]nonane has a molecular weight of 312.23 g/mol, XLogP of 4.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-4-fluoro-2-methylphenyl)-2-azaspiro[3.5]nonane is sourced from PubChem (CID 107592764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).