2-[2-(3-fluorophenyl)ethyl]-2-azatricyclo[3.3.1.13,7]decane;hydrochloride

C17H23ClFN — CID 56672198

IUPAC2-[2-(3-fluorophenyl)ethyl]-2-azatricyclo[3.3.1.13,7]decane;hydrochloride
SMILESCl.Fc1cccc(CCN2C3CC4CC(C3)CC2C4)c1
InChIInChI=1S/C17H22FN.ClH/c18-15-3-1-2-12(7-15)4-5-19-16-8-13-6-14(10-16)11-17(19)9-13;/h1-3,7,13-14,16-17H,4-6,8-11H2;1H
InChIKeyMHCCJSGASQACQF-UHFFFAOYSA-N
MW295.83 g/mol
LogP4.05
Rot. Bonds3

About 2-[2-(3-fluorophenyl)ethyl]-2-azatricyclo[3.3.1.13,7]decane;hydrochloride

2-[2-(3-fluorophenyl)ethyl]-2-azatricyclo[3.3.1.13,7]decane;hydrochloride (PubChem CID 56672198) has the molecular formula C17H23ClFN and a molecular weight of 295.83 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)ethyl]-2-azatricyclo[3.3.1.13,7]decane;hydrochloride.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)ethyl]-2-azatricyclo[3.3.1.13,7]decane;hydrochloride
PubChem CID56672198
Molecular FormulaC17H23ClFN
Molecular Weight295.83 g/mol
Exact Mass295.15
IUPAC Name2-[2-(3-fluorophenyl)ethyl]-2-azatricyclo[3.3.1.13,7]decane;hydrochloride
SMILESCl.Fc1cccc(CCN2C3CC4CC(C3)CC2C4)c1
InChIInChI=1S/C17H22FN.ClH/c18-15-3-1-2-12(7-15)4-5-19-16-8-13-6-14(10-16)11-17(19)9-13;/h1-3,7,13-14,16-17H,4-6,8-11H2;1H
InChIKeyMHCCJSGASQACQF-UHFFFAOYSA-N
XLogP4.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.83
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)ethyl]-2-azatricyclo[3.3.1.13,7]decane;hydrochloride?
The IUPAC name of 2-[2-(3-fluorophenyl)ethyl]-2-azatricyclo[3.3.1.13,7]decane;hydrochloride (CID 56672198) is 2-[2-(3-fluorophenyl)ethyl]-2-azatricyclo[3.3.1.13,7]decane;hydrochloride.
What is the SMILES notation for 2-[2-(3-fluorophenyl)ethyl]-2-azatricyclo[3.3.1.13,7]decane;hydrochloride?
The canonical SMILES for 2-[2-(3-fluorophenyl)ethyl]-2-azatricyclo[3.3.1.13,7]decane;hydrochloride is Cl.Fc1cccc(CCN2C3CC4CC(C3)CC2C4)c1.
What is the InChIKey of 2-[2-(3-fluorophenyl)ethyl]-2-azatricyclo[3.3.1.13,7]decane;hydrochloride?
The InChIKey is MHCCJSGASQACQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN.ClH/c18-15-3-1-2-12(7-15)4-5-19-16-8-13-6-14(10-16)11-17(19)9-13;/h1-3,7,13-14,16-17H,4-6,8-11H2;1H.
What are the key properties of 2-[2-(3-fluorophenyl)ethyl]-2-azatricyclo[3.3.1.13,7]decane;hydrochloride?
2-[2-(3-fluorophenyl)ethyl]-2-azatricyclo[3.3.1.13,7]decane;hydrochloride has a molecular weight of 295.83 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)ethyl]-2-azatricyclo[3.3.1.13,7]decane;hydrochloride is sourced from PubChem (CID 56672198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).