3-fluoro-6-methyl-3,6-diazabicyclo[3.1.1]heptane

C6H11FN2 — CID 134435340

IUPAC3-fluoro-6-methyl-3,6-diazabicyclo[3.1.1]heptane
SMILESCN1C2CC1CN(F)C2
InChIInChI=1S/C6H11FN2/c1-8-5-2-6(8)4-9(7)3-5/h5-6H,2-4H2,1H3
InChIKeyLBJJXWHJNQBAFT-UHFFFAOYSA-N
MW130.17 g/mol
LogP0.26
Rot. Bonds

About 3-fluoro-6-methyl-3,6-diazabicyclo[3.1.1]heptane

3-fluoro-6-methyl-3,6-diazabicyclo[3.1.1]heptane (PubChem CID 134435340) has the molecular formula C6H11FN2 and a molecular weight of 130.17 g/mol. Its IUPAC name is 3-fluoro-6-methyl-3,6-diazabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name3-fluoro-6-methyl-3,6-diazabicyclo[3.1.1]heptane
PubChem CID134435340
Molecular FormulaC6H11FN2
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Name3-fluoro-6-methyl-3,6-diazabicyclo[3.1.1]heptane
SMILESCN1C2CC1CN(F)C2
InChIInChI=1S/C6H11FN2/c1-8-5-2-6(8)4-9(7)3-5/h5-6H,2-4H2,1H3
InChIKeyLBJJXWHJNQBAFT-UHFFFAOYSA-N
XLogP0.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-methyl-3,6-diazabicyclo[3.1.1]heptane?
The IUPAC name of 3-fluoro-6-methyl-3,6-diazabicyclo[3.1.1]heptane (CID 134435340) is 3-fluoro-6-methyl-3,6-diazabicyclo[3.1.1]heptane.
What is the SMILES notation for 3-fluoro-6-methyl-3,6-diazabicyclo[3.1.1]heptane?
The canonical SMILES for 3-fluoro-6-methyl-3,6-diazabicyclo[3.1.1]heptane is CN1C2CC1CN(F)C2.
What is the InChIKey of 3-fluoro-6-methyl-3,6-diazabicyclo[3.1.1]heptane?
The InChIKey is LBJJXWHJNQBAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN2/c1-8-5-2-6(8)4-9(7)3-5/h5-6H,2-4H2,1H3.
What are the key properties of 3-fluoro-6-methyl-3,6-diazabicyclo[3.1.1]heptane?
3-fluoro-6-methyl-3,6-diazabicyclo[3.1.1]heptane has a molecular weight of 130.17 g/mol, XLogP of 0.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-methyl-3,6-diazabicyclo[3.1.1]heptane is sourced from PubChem (CID 134435340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).