3-[(2-fluorophenyl)methylidene]-8-azabicyclo[3.2.1]octane;hydrochloride

C14H17ClFN — CID 126844749

IUPAC3-[(2-fluorophenyl)methylidene]-8-azabicyclo[3.2.1]octane;hydrochloride
SMILESCl.Fc1ccccc1C=C1CC2CCC(C1)N2
InChIInChI=1S/C14H16FN.ClH/c15-14-4-2-1-3-11(14)7-10-8-12-5-6-13(9-10)16-12;/h1-4,7,12-13,16H,5-6,8-9H2;1H
InChIKeyKWZSJQAIVCMTLK-UHFFFAOYSA-N
MW253.75 g/mol
LogP3.55
Rot. Bonds1

About 3-[(2-fluorophenyl)methylidene]-8-azabicyclo[3.2.1]octane;hydrochloride

3-[(2-fluorophenyl)methylidene]-8-azabicyclo[3.2.1]octane;hydrochloride (PubChem CID 126844749) has the molecular formula C14H17ClFN and a molecular weight of 253.75 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methylidene]-8-azabicyclo[3.2.1]octane;hydrochloride.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methylidene]-8-azabicyclo[3.2.1]octane;hydrochloride
PubChem CID126844749
Molecular FormulaC14H17ClFN
Molecular Weight253.75 g/mol
Exact Mass253.10
IUPAC Name3-[(2-fluorophenyl)methylidene]-8-azabicyclo[3.2.1]octane;hydrochloride
SMILESCl.Fc1ccccc1C=C1CC2CCC(C1)N2
InChIInChI=1S/C14H16FN.ClH/c15-14-4-2-1-3-11(14)7-10-8-12-5-6-13(9-10)16-12;/h1-4,7,12-13,16H,5-6,8-9H2;1H
InChIKeyKWZSJQAIVCMTLK-UHFFFAOYSA-N
XLogP3.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.75
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methylidene]-8-azabicyclo[3.2.1]octane;hydrochloride?
The IUPAC name of 3-[(2-fluorophenyl)methylidene]-8-azabicyclo[3.2.1]octane;hydrochloride (CID 126844749) is 3-[(2-fluorophenyl)methylidene]-8-azabicyclo[3.2.1]octane;hydrochloride.
What is the SMILES notation for 3-[(2-fluorophenyl)methylidene]-8-azabicyclo[3.2.1]octane;hydrochloride?
The canonical SMILES for 3-[(2-fluorophenyl)methylidene]-8-azabicyclo[3.2.1]octane;hydrochloride is Cl.Fc1ccccc1C=C1CC2CCC(C1)N2.
What is the InChIKey of 3-[(2-fluorophenyl)methylidene]-8-azabicyclo[3.2.1]octane;hydrochloride?
The InChIKey is KWZSJQAIVCMTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN.ClH/c15-14-4-2-1-3-11(14)7-10-8-12-5-6-13(9-10)16-12;/h1-4,7,12-13,16H,5-6,8-9H2;1H.
What are the key properties of 3-[(2-fluorophenyl)methylidene]-8-azabicyclo[3.2.1]octane;hydrochloride?
3-[(2-fluorophenyl)methylidene]-8-azabicyclo[3.2.1]octane;hydrochloride has a molecular weight of 253.75 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methylidene]-8-azabicyclo[3.2.1]octane;hydrochloride is sourced from PubChem (CID 126844749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).