2-[(4-bromo-2-fluorophenyl)methyl]-2,8-diazaspiro[5.5]undecane

C16H22BrFN2 — CID 102849338

IUPAC2-[(4-bromo-2-fluorophenyl)methyl]-2,8-diazaspiro[5.5]undecane
SMILESFc1cc(Br)ccc1CN1CCCC2(CCCNC2)C1
InChIInChI=1S/C16H22BrFN2/c17-14-4-3-13(15(18)9-14)10-20-8-2-6-16(12-20)5-1-7-19-11-16/h3-4,9,19H,1-2,5-8,10-12H2
InChIKeyFWWAKXOTTYFYMJ-UHFFFAOYSA-N
MW341.27 g/mol
LogP3.55
Rot. Bonds2

About 2-[(4-bromo-2-fluorophenyl)methyl]-2,8-diazaspiro[5.5]undecane

2-[(4-bromo-2-fluorophenyl)methyl]-2,8-diazaspiro[5.5]undecane (PubChem CID 102849338) has the molecular formula C16H22BrFN2 and a molecular weight of 341.27 g/mol. Its IUPAC name is 2-[(4-bromo-2-fluorophenyl)methyl]-2,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name2-[(4-bromo-2-fluorophenyl)methyl]-2,8-diazaspiro[5.5]undecane
PubChem CID102849338
Molecular FormulaC16H22BrFN2
Molecular Weight341.27 g/mol
Exact Mass340.10
IUPAC Name2-[(4-bromo-2-fluorophenyl)methyl]-2,8-diazaspiro[5.5]undecane
SMILESFc1cc(Br)ccc1CN1CCCC2(CCCNC2)C1
InChIInChI=1S/C16H22BrFN2/c17-14-4-3-13(15(18)9-14)10-20-8-2-6-16(12-20)5-1-7-19-11-16/h3-4,9,19H,1-2,5-8,10-12H2
InChIKeyFWWAKXOTTYFYMJ-UHFFFAOYSA-N
XLogP3.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.27
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(4-bromo-2-fluorophenyl)methyl]-2,8-diazaspiro[5.5]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-fluorophenyl)methyl]-2,8-diazaspiro[5.5]undecane?
The IUPAC name of 2-[(4-bromo-2-fluorophenyl)methyl]-2,8-diazaspiro[5.5]undecane (CID 102849338) is 2-[(4-bromo-2-fluorophenyl)methyl]-2,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 2-[(4-bromo-2-fluorophenyl)methyl]-2,8-diazaspiro[5.5]undecane?
The canonical SMILES for 2-[(4-bromo-2-fluorophenyl)methyl]-2,8-diazaspiro[5.5]undecane is Fc1cc(Br)ccc1CN1CCCC2(CCCNC2)C1.
What is the InChIKey of 2-[(4-bromo-2-fluorophenyl)methyl]-2,8-diazaspiro[5.5]undecane?
The InChIKey is FWWAKXOTTYFYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrFN2/c17-14-4-3-13(15(18)9-14)10-20-8-2-6-16(12-20)5-1-7-19-11-16/h3-4,9,19H,1-2,5-8,10-12H2.
What are the key properties of 2-[(4-bromo-2-fluorophenyl)methyl]-2,8-diazaspiro[5.5]undecane?
2-[(4-bromo-2-fluorophenyl)methyl]-2,8-diazaspiro[5.5]undecane has a molecular weight of 341.27 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-fluorophenyl)methyl]-2,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 102849338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).