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

Analyze 3-[(2-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

Related Compounds

3-[(4-fluorophenyl)methylidene]-8-azabicyclo[3.2.1]octane;hydrochloride
CID 126844806
1-fluoro-2-[(4-fluorocyclohexylidene)methyl]benzene
CID 121281352
2-[(E)-2-(2-fluorophenyl)ethenyl]piperidine;hydrochloride
CID 126844744
2-[(2-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol
CID 2765955
4-[(2,3-difluorophenyl)methylidene]cyclohexan-1-amine
CID 79879887
3-[(2-bromo-3-fluorophenyl)methylidene]cyclobutan-1-amine
CID 103393968
3-(2,6-difluorophenyl)-3-fluoro-8-azabicyclo[3.2.1]octane
CID 112564653
(3E)-3-[(2-fluorophenyl)methylidene]oxolane-2,5-dione
CID 82158362
N-(2-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 105476083
2-[(E)-2-(2-fluorophenyl)ethenyl]azocane
CID 114239682
(1S,2E,4E,5S)-2,4-bis[(2-fluorophenyl)methylidene]-8-methyl-8-azabicyclo[3.2.1]octan-3-one
CID 98185561
1-fluoro-2-[(Z)-2-phenylethenyl]benzene
CID 46218050

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).