2-fluoro-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-one

C9H14FNO — CID 153383243

IUPAC2-fluoro-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-one
SMILESCC12CCC(C)(N1)C(F)C(=O)C2
InChIInChI=1S/C9H14FNO/c1-8-3-4-9(2,11-8)7(10)6(12)5-8/h7,11H,3-5H2,1-2H3
InChIKeyVYXUKBAXISENEO-UHFFFAOYSA-N
MW171.21 g/mol
LogP1.20
Rot. Bonds

About 2-fluoro-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-one

2-fluoro-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 153383243) has the molecular formula C9H14FNO and a molecular weight of 171.21 g/mol. Its IUPAC name is 2-fluoro-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name2-fluoro-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-one
PubChem CID153383243
Molecular FormulaC9H14FNO
Molecular Weight171.21 g/mol
Exact Mass171.11
IUPAC Name2-fluoro-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-one
SMILESCC12CCC(C)(N1)C(F)C(=O)C2
InChIInChI=1S/C9H14FNO/c1-8-3-4-9(2,11-8)7(10)6(12)5-8/h7,11H,3-5H2,1-2H3
InChIKeyVYXUKBAXISENEO-UHFFFAOYSA-N
XLogP1.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.21
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of 2-fluoro-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-one (CID 153383243) is 2-fluoro-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 2-fluoro-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 2-fluoro-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-one is CC12CCC(C)(N1)C(F)C(=O)C2.
What is the InChIKey of 2-fluoro-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is VYXUKBAXISENEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO/c1-8-3-4-9(2,11-8)7(10)6(12)5-8/h7,11H,3-5H2,1-2H3.
What are the key properties of 2-fluoro-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-one?
2-fluoro-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 171.21 g/mol, XLogP of 1.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 153383243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).