3-fluoro-3-methyl-8-azabicyclo[3.2.1]octane;hydrochloride

C8H15ClFN — CID 68756269

IUPAC3-fluoro-3-methyl-8-azabicyclo[3.2.1]octane;hydrochloride
SMILESCC1(F)CC2CCC(C1)N2.Cl
InChIInChI=1S/C8H14FN.ClH/c1-8(9)4-6-2-3-7(5-8)10-6;/h6-7,10H,2-5H2,1H3;1H
InChIKeyWGASMENDDFXAPR-UHFFFAOYSA-N
MW179.67 g/mol
LogP2.05
Rot. Bonds

About 3-fluoro-3-methyl-8-azabicyclo[3.2.1]octane;hydrochloride

3-fluoro-3-methyl-8-azabicyclo[3.2.1]octane;hydrochloride (PubChem CID 68756269) has the molecular formula C8H15ClFN and a molecular weight of 179.67 g/mol. Its IUPAC name is 3-fluoro-3-methyl-8-azabicyclo[3.2.1]octane;hydrochloride.

Molecular Properties

Compound Name3-fluoro-3-methyl-8-azabicyclo[3.2.1]octane;hydrochloride
PubChem CID68756269
Molecular FormulaC8H15ClFN
Molecular Weight179.67 g/mol
Exact Mass179.09
IUPAC Name3-fluoro-3-methyl-8-azabicyclo[3.2.1]octane;hydrochloride
SMILESCC1(F)CC2CCC(C1)N2.Cl
InChIInChI=1S/C8H14FN.ClH/c1-8(9)4-6-2-3-7(5-8)10-6;/h6-7,10H,2-5H2,1H3;1H
InChIKeyWGASMENDDFXAPR-UHFFFAOYSA-N
XLogP2.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.67
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methyl-8-azabicyclo[3.2.1]octane;hydrochloride?
The IUPAC name of 3-fluoro-3-methyl-8-azabicyclo[3.2.1]octane;hydrochloride (CID 68756269) is 3-fluoro-3-methyl-8-azabicyclo[3.2.1]octane;hydrochloride.
What is the SMILES notation for 3-fluoro-3-methyl-8-azabicyclo[3.2.1]octane;hydrochloride?
The canonical SMILES for 3-fluoro-3-methyl-8-azabicyclo[3.2.1]octane;hydrochloride is CC1(F)CC2CCC(C1)N2.Cl.
What is the InChIKey of 3-fluoro-3-methyl-8-azabicyclo[3.2.1]octane;hydrochloride?
The InChIKey is WGASMENDDFXAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN.ClH/c1-8(9)4-6-2-3-7(5-8)10-6;/h6-7,10H,2-5H2,1H3;1H.
What are the key properties of 3-fluoro-3-methyl-8-azabicyclo[3.2.1]octane;hydrochloride?
3-fluoro-3-methyl-8-azabicyclo[3.2.1]octane;hydrochloride has a molecular weight of 179.67 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methyl-8-azabicyclo[3.2.1]octane;hydrochloride is sourced from PubChem (CID 68756269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).