1-(3,8-diazabicyclo[3.2.1]octan-1-yl)-2-fluoroethanone;hydrochloride

C8H14ClFN2O — CID 88652461

IUPAC1-(3,8-diazabicyclo[3.2.1]octan-1-yl)-2-fluoroethanone;hydrochloride
SMILESCl.O=C(CF)C12CCC(CNC1)N2
InChIInChI=1S/C8H13FN2O.ClH/c9-3-7(12)8-2-1-6(11-8)4-10-5-8;/h6,10-11H,1-5H2;1H
InChIKeyFHJZGOZTBYXCNE-UHFFFAOYSA-N
MW208.66 g/mol
LogP0.04
Rot. Bonds2

About 1-(3,8-diazabicyclo[3.2.1]octan-1-yl)-2-fluoroethanone;hydrochloride

1-(3,8-diazabicyclo[3.2.1]octan-1-yl)-2-fluoroethanone;hydrochloride (PubChem CID 88652461) has the molecular formula C8H14ClFN2O and a molecular weight of 208.66 g/mol. Its IUPAC name is 1-(3,8-diazabicyclo[3.2.1]octan-1-yl)-2-fluoroethanone;hydrochloride.

Molecular Properties

Compound Name1-(3,8-diazabicyclo[3.2.1]octan-1-yl)-2-fluoroethanone;hydrochloride
PubChem CID88652461
Molecular FormulaC8H14ClFN2O
Molecular Weight208.66 g/mol
Exact Mass208.08
IUPAC Name1-(3,8-diazabicyclo[3.2.1]octan-1-yl)-2-fluoroethanone;hydrochloride
SMILESCl.O=C(CF)C12CCC(CNC1)N2
InChIInChI=1S/C8H13FN2O.ClH/c9-3-7(12)8-2-1-6(11-8)4-10-5-8;/h6,10-11H,1-5H2;1H
InChIKeyFHJZGOZTBYXCNE-UHFFFAOYSA-N
XLogP0.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.66
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,8-diazabicyclo[3.2.1]octan-1-yl)-2-fluoroethanone;hydrochloride?
The IUPAC name of 1-(3,8-diazabicyclo[3.2.1]octan-1-yl)-2-fluoroethanone;hydrochloride (CID 88652461) is 1-(3,8-diazabicyclo[3.2.1]octan-1-yl)-2-fluoroethanone;hydrochloride.
What is the SMILES notation for 1-(3,8-diazabicyclo[3.2.1]octan-1-yl)-2-fluoroethanone;hydrochloride?
The canonical SMILES for 1-(3,8-diazabicyclo[3.2.1]octan-1-yl)-2-fluoroethanone;hydrochloride is Cl.O=C(CF)C12CCC(CNC1)N2.
What is the InChIKey of 1-(3,8-diazabicyclo[3.2.1]octan-1-yl)-2-fluoroethanone;hydrochloride?
The InChIKey is FHJZGOZTBYXCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2O.ClH/c9-3-7(12)8-2-1-6(11-8)4-10-5-8;/h6,10-11H,1-5H2;1H.
What are the key properties of 1-(3,8-diazabicyclo[3.2.1]octan-1-yl)-2-fluoroethanone;hydrochloride?
1-(3,8-diazabicyclo[3.2.1]octan-1-yl)-2-fluoroethanone;hydrochloride has a molecular weight of 208.66 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,8-diazabicyclo[3.2.1]octan-1-yl)-2-fluoroethanone;hydrochloride is sourced from PubChem (CID 88652461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).