3-bromo-8-(3-fluoropropyl)-8-azabicyclo[3.2.1]octane

C10H17BrFN — CID 81113685

IUPAC3-bromo-8-(3-fluoropropyl)-8-azabicyclo[3.2.1]octane
SMILESFCCCN1C2CCC1CC(Br)C2
InChIInChI=1S/C10H17BrFN/c11-8-6-9-2-3-10(7-8)13(9)5-1-4-12/h8-10H,1-7H2
InChIKeyJNWGWFLAWOKJEC-UHFFFAOYSA-N
MW250.15 g/mol
LogP2.74
Rot. Bonds3

About 3-bromo-8-(3-fluoropropyl)-8-azabicyclo[3.2.1]octane

3-bromo-8-(3-fluoropropyl)-8-azabicyclo[3.2.1]octane (PubChem CID 81113685) has the molecular formula C10H17BrFN and a molecular weight of 250.15 g/mol. Its IUPAC name is 3-bromo-8-(3-fluoropropyl)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-bromo-8-(3-fluoropropyl)-8-azabicyclo[3.2.1]octane
PubChem CID81113685
Molecular FormulaC10H17BrFN
Molecular Weight250.15 g/mol
Exact Mass249.05
IUPAC Name3-bromo-8-(3-fluoropropyl)-8-azabicyclo[3.2.1]octane
SMILESFCCCN1C2CCC1CC(Br)C2
InChIInChI=1S/C10H17BrFN/c11-8-6-9-2-3-10(7-8)13(9)5-1-4-12/h8-10H,1-7H2
InChIKeyJNWGWFLAWOKJEC-UHFFFAOYSA-N
XLogP2.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.15
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-(3-fluoropropyl)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-bromo-8-(3-fluoropropyl)-8-azabicyclo[3.2.1]octane (CID 81113685) is 3-bromo-8-(3-fluoropropyl)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-bromo-8-(3-fluoropropyl)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-bromo-8-(3-fluoropropyl)-8-azabicyclo[3.2.1]octane is FCCCN1C2CCC1CC(Br)C2.
What is the InChIKey of 3-bromo-8-(3-fluoropropyl)-8-azabicyclo[3.2.1]octane?
The InChIKey is JNWGWFLAWOKJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrFN/c11-8-6-9-2-3-10(7-8)13(9)5-1-4-12/h8-10H,1-7H2.
What are the key properties of 3-bromo-8-(3-fluoropropyl)-8-azabicyclo[3.2.1]octane?
3-bromo-8-(3-fluoropropyl)-8-azabicyclo[3.2.1]octane has a molecular weight of 250.15 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-(3-fluoropropyl)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 81113685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).