8-(2-fluoroacetyl)-8-azabicyclo[3.2.1]octan-3-one

C9H12FNO2 — CID 89147190

IUPAC8-(2-fluoroacetyl)-8-azabicyclo[3.2.1]octan-3-one
SMILESO=C1CC2CCC(C1)N2C(=O)CF
InChIInChI=1S/C9H12FNO2/c10-5-9(13)11-6-1-2-7(11)4-8(12)3-6/h6-7H,1-5H2
InChIKeyUPXSCJVBWRIBAX-UHFFFAOYSA-N
MW185.20 g/mol
LogP0.68
Rot. Bonds1

About 8-(2-fluoroacetyl)-8-azabicyclo[3.2.1]octan-3-one

8-(2-fluoroacetyl)-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 89147190) has the molecular formula C9H12FNO2 and a molecular weight of 185.20 g/mol. Its IUPAC name is 8-(2-fluoroacetyl)-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name8-(2-fluoroacetyl)-8-azabicyclo[3.2.1]octan-3-one
PubChem CID89147190
Molecular FormulaC9H12FNO2
Molecular Weight185.20 g/mol
Exact Mass185.09
IUPAC Name8-(2-fluoroacetyl)-8-azabicyclo[3.2.1]octan-3-one
SMILESO=C1CC2CCC(C1)N2C(=O)CF
InChIInChI=1S/C9H12FNO2/c10-5-9(13)11-6-1-2-7(11)4-8(12)3-6/h6-7H,1-5H2
InChIKeyUPXSCJVBWRIBAX-UHFFFAOYSA-N
XLogP0.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(2-fluoroacetyl)-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of 8-(2-fluoroacetyl)-8-azabicyclo[3.2.1]octan-3-one (CID 89147190) is 8-(2-fluoroacetyl)-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 8-(2-fluoroacetyl)-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 8-(2-fluoroacetyl)-8-azabicyclo[3.2.1]octan-3-one is O=C1CC2CCC(C1)N2C(=O)CF.
What is the InChIKey of 8-(2-fluoroacetyl)-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is UPXSCJVBWRIBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2/c10-5-9(13)11-6-1-2-7(11)4-8(12)3-6/h6-7H,1-5H2.
What are the key properties of 8-(2-fluoroacetyl)-8-azabicyclo[3.2.1]octan-3-one?
8-(2-fluoroacetyl)-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 185.20 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluoroacetyl)-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 89147190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).