3-[(4-fluorophenyl)methylidene]-8-azabicyclo[3.2.1]octane;hydrochloride

C14H17ClFN — CID 126844806

IUPAC3-[(4-fluorophenyl)methylidene]-8-azabicyclo[3.2.1]octane;hydrochloride
SMILESCl.Fc1ccc(C=C2CC3CCC(C2)N3)cc1
InChIInChI=1S/C14H16FN.ClH/c15-12-3-1-10(2-4-12)7-11-8-13-5-6-14(9-11)16-13;/h1-4,7,13-14,16H,5-6,8-9H2;1H
InChIKeyFHUCPGFLZZTYMG-UHFFFAOYSA-N
MW253.75 g/mol
LogP3.55
Rot. Bonds1

About 3-[(4-fluorophenyl)methylidene]-8-azabicyclo[3.2.1]octane;hydrochloride

3-[(4-fluorophenyl)methylidene]-8-azabicyclo[3.2.1]octane;hydrochloride (PubChem CID 126844806) has the molecular formula C14H17ClFN and a molecular weight of 253.75 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methylidene]-8-azabicyclo[3.2.1]octane;hydrochloride.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methylidene]-8-azabicyclo[3.2.1]octane;hydrochloride
PubChem CID126844806
Molecular FormulaC14H17ClFN
Molecular Weight253.75 g/mol
Exact Mass253.10
IUPAC Name3-[(4-fluorophenyl)methylidene]-8-azabicyclo[3.2.1]octane;hydrochloride
SMILESCl.Fc1ccc(C=C2CC3CCC(C2)N3)cc1
InChIInChI=1S/C14H16FN.ClH/c15-12-3-1-10(2-4-12)7-11-8-13-5-6-14(9-11)16-13;/h1-4,7,13-14,16H,5-6,8-9H2;1H
InChIKeyFHUCPGFLZZTYMG-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

Analyze 3-[(4-fluorophenyl)methylidene]-8-azabicyclo[3.2.1]octane;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methylidene]-8-azabicyclo[3.2.1]octane;hydrochloride?
The IUPAC name of 3-[(4-fluorophenyl)methylidene]-8-azabicyclo[3.2.1]octane;hydrochloride (CID 126844806) is 3-[(4-fluorophenyl)methylidene]-8-azabicyclo[3.2.1]octane;hydrochloride.
What is the SMILES notation for 3-[(4-fluorophenyl)methylidene]-8-azabicyclo[3.2.1]octane;hydrochloride?
The canonical SMILES for 3-[(4-fluorophenyl)methylidene]-8-azabicyclo[3.2.1]octane;hydrochloride is Cl.Fc1ccc(C=C2CC3CCC(C2)N3)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methylidene]-8-azabicyclo[3.2.1]octane;hydrochloride?
The InChIKey is FHUCPGFLZZTYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN.ClH/c15-12-3-1-10(2-4-12)7-11-8-13-5-6-14(9-11)16-13;/h1-4,7,13-14,16H,5-6,8-9H2;1H.
What are the key properties of 3-[(4-fluorophenyl)methylidene]-8-azabicyclo[3.2.1]octane;hydrochloride?
3-[(4-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-[(4-fluorophenyl)methylidene]-8-azabicyclo[3.2.1]octane;hydrochloride is sourced from PubChem (CID 126844806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).