8-(2,6-dichloro-4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-one

C13H12Cl2FNO — CID 83082144

IUPAC8-(2,6-dichloro-4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-one
SMILESO=C1CC2CCC(C1)N2c1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C13H12Cl2FNO/c14-11-3-7(16)4-12(15)13(11)17-8-1-2-9(17)6-10(18)5-8/h3-4,8-9H,1-2,5-6H2
InChIKeyPRFMYAMBELTKKV-UHFFFAOYSA-N
MW288.15 g/mol
LogP3.83
Rot. Bonds1

About 8-(2,6-dichloro-4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-one

8-(2,6-dichloro-4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 83082144) has the molecular formula C13H12Cl2FNO and a molecular weight of 288.15 g/mol. Its IUPAC name is 8-(2,6-dichloro-4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name8-(2,6-dichloro-4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-one
PubChem CID83082144
Molecular FormulaC13H12Cl2FNO
Molecular Weight288.15 g/mol
Exact Mass287.03
IUPAC Name8-(2,6-dichloro-4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-one
SMILESO=C1CC2CCC(C1)N2c1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C13H12Cl2FNO/c14-11-3-7(16)4-12(15)13(11)17-8-1-2-9(17)6-10(18)5-8/h3-4,8-9H,1-2,5-6H2
InChIKeyPRFMYAMBELTKKV-UHFFFAOYSA-N
XLogP3.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(2,6-dichloro-4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of 8-(2,6-dichloro-4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-one (CID 83082144) is 8-(2,6-dichloro-4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 8-(2,6-dichloro-4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 8-(2,6-dichloro-4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-one is O=C1CC2CCC(C1)N2c1c(Cl)cc(F)cc1Cl.
What is the InChIKey of 8-(2,6-dichloro-4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is PRFMYAMBELTKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2FNO/c14-11-3-7(16)4-12(15)13(11)17-8-1-2-9(17)6-10(18)5-8/h3-4,8-9H,1-2,5-6H2.
What are the key properties of 8-(2,6-dichloro-4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-one?
8-(2,6-dichloro-4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 288.15 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-dichloro-4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 83082144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).