6-fluoro-3-methyl-3,8-diazabicyclo[3.2.1]octane

C7H13FN2 — CID 167162263

IUPAC6-fluoro-3-methyl-3,8-diazabicyclo[3.2.1]octane
SMILESCN1CC2CC(F)C(C1)N2
InChIInChI=1S/C7H13FN2/c1-10-3-5-2-6(8)7(4-10)9-5/h5-7,9H,2-4H2,1H3
InChIKeyFZZVWSQWFDSQLF-UHFFFAOYSA-N
MW144.19 g/mol
LogP0.00
Rot. Bonds

About 6-fluoro-3-methyl-3,8-diazabicyclo[3.2.1]octane

6-fluoro-3-methyl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 167162263) has the molecular formula C7H13FN2 and a molecular weight of 144.19 g/mol. Its IUPAC name is 6-fluoro-3-methyl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name6-fluoro-3-methyl-3,8-diazabicyclo[3.2.1]octane
PubChem CID167162263
Molecular FormulaC7H13FN2
Molecular Weight144.19 g/mol
Exact Mass144.11
IUPAC Name6-fluoro-3-methyl-3,8-diazabicyclo[3.2.1]octane
SMILESCN1CC2CC(F)C(C1)N2
InChIInChI=1S/C7H13FN2/c1-10-3-5-2-6(8)7(4-10)9-5/h5-7,9H,2-4H2,1H3
InChIKeyFZZVWSQWFDSQLF-UHFFFAOYSA-N
XLogP0.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-methyl-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 6-fluoro-3-methyl-3,8-diazabicyclo[3.2.1]octane (CID 167162263) is 6-fluoro-3-methyl-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 6-fluoro-3-methyl-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 6-fluoro-3-methyl-3,8-diazabicyclo[3.2.1]octane is CN1CC2CC(F)C(C1)N2.
What is the InChIKey of 6-fluoro-3-methyl-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is FZZVWSQWFDSQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2/c1-10-3-5-2-6(8)7(4-10)9-5/h5-7,9H,2-4H2,1H3.
What are the key properties of 6-fluoro-3-methyl-3,8-diazabicyclo[3.2.1]octane?
6-fluoro-3-methyl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 144.19 g/mol, XLogP of 0.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-methyl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 167162263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).