2-(4-bromo-2-fluorophenyl)-2-azaspiro[4.5]decan-1-one

C15H17BrFNO — CID 67478957

IUPAC2-(4-bromo-2-fluorophenyl)-2-azaspiro[4.5]decan-1-one
SMILESO=C1N(c2ccc(Br)cc2F)CCC12CCCCC2
InChIInChI=1S/C15H17BrFNO/c16-11-4-5-13(12(17)10-11)18-9-8-15(14(18)19)6-2-1-3-7-15/h4-5,10H,1-3,6-9H2
InChIKeyYNUJSYCTWOZTPW-UHFFFAOYSA-N
MW326.21 g/mol
LogP4.28
Rot. Bonds1

About 2-(4-bromo-2-fluorophenyl)-2-azaspiro[4.5]decan-1-one

2-(4-bromo-2-fluorophenyl)-2-azaspiro[4.5]decan-1-one (PubChem CID 67478957) has the molecular formula C15H17BrFNO and a molecular weight of 326.21 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-2-azaspiro[4.5]decan-1-one
PubChem CID67478957
Molecular FormulaC15H17BrFNO
Molecular Weight326.21 g/mol
Exact Mass325.05
IUPAC Name2-(4-bromo-2-fluorophenyl)-2-azaspiro[4.5]decan-1-one
SMILESO=C1N(c2ccc(Br)cc2F)CCC12CCCCC2
InChIInChI=1S/C15H17BrFNO/c16-11-4-5-13(12(17)10-11)18-9-8-15(14(18)19)6-2-1-3-7-15/h4-5,10H,1-3,6-9H2
InChIKeyYNUJSYCTWOZTPW-UHFFFAOYSA-N
XLogP4.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-2-azaspiro[4.5]decan-1-one (CID 67478957) is 2-(4-bromo-2-fluorophenyl)-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-2-azaspiro[4.5]decan-1-one is O=C1N(c2ccc(Br)cc2F)CCC12CCCCC2.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-2-azaspiro[4.5]decan-1-one?
The InChIKey is YNUJSYCTWOZTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFNO/c16-11-4-5-13(12(17)10-11)18-9-8-15(14(18)19)6-2-1-3-7-15/h4-5,10H,1-3,6-9H2.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-2-azaspiro[4.5]decan-1-one?
2-(4-bromo-2-fluorophenyl)-2-azaspiro[4.5]decan-1-one has a molecular weight of 326.21 g/mol, XLogP of 4.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 67478957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).