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

C9H15FN2 — CID 105434540

IUPAC6-cyclopropyl-8-fluoro-3,6-diazabicyclo[3.2.1]octane
SMILESFC1C2CNCC1N(C1CC1)C2
InChIInChI=1S/C9H15FN2/c10-9-6-3-11-4-8(9)12(5-6)7-1-2-7/h6-9,11H,1-5H2
InChIKeyWOOHHDUPUYUPAK-UHFFFAOYSA-N
MW170.23 g/mol
LogP0.39
Rot. Bonds1

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

6-cyclopropyl-8-fluoro-3,6-diazabicyclo[3.2.1]octane (PubChem CID 105434540) has the molecular formula C9H15FN2 and a molecular weight of 170.23 g/mol. Its IUPAC name is 6-cyclopropyl-8-fluoro-3,6-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name6-cyclopropyl-8-fluoro-3,6-diazabicyclo[3.2.1]octane
PubChem CID105434540
Molecular FormulaC9H15FN2
Molecular Weight170.23 g/mol
Exact Mass170.12
IUPAC Name6-cyclopropyl-8-fluoro-3,6-diazabicyclo[3.2.1]octane
SMILESFC1C2CNCC1N(C1CC1)C2
InChIInChI=1S/C9H15FN2/c10-9-6-3-11-4-8(9)12(5-6)7-1-2-7/h6-9,11H,1-5H2
InChIKeyWOOHHDUPUYUPAK-UHFFFAOYSA-N
XLogP0.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-8-fluoro-3,6-diazabicyclo[3.2.1]octane?
The IUPAC name of 6-cyclopropyl-8-fluoro-3,6-diazabicyclo[3.2.1]octane (CID 105434540) is 6-cyclopropyl-8-fluoro-3,6-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 6-cyclopropyl-8-fluoro-3,6-diazabicyclo[3.2.1]octane?
The canonical SMILES for 6-cyclopropyl-8-fluoro-3,6-diazabicyclo[3.2.1]octane is FC1C2CNCC1N(C1CC1)C2.
What is the InChIKey of 6-cyclopropyl-8-fluoro-3,6-diazabicyclo[3.2.1]octane?
The InChIKey is WOOHHDUPUYUPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2/c10-9-6-3-11-4-8(9)12(5-6)7-1-2-7/h6-9,11H,1-5H2.
What are the key properties of 6-cyclopropyl-8-fluoro-3,6-diazabicyclo[3.2.1]octane?
6-cyclopropyl-8-fluoro-3,6-diazabicyclo[3.2.1]octane has a molecular weight of 170.23 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-8-fluoro-3,6-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 105434540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).