7-(4-fluorophenyl)-8,10-dioxa-3-azabicyclo[5.2.1]decane;hydrochloride

C13H17ClFNO2 — CID 3069304

IUPAC7-(4-fluorophenyl)-8,10-dioxa-3-azabicyclo[5.2.1]decane;hydrochloride
SMILESCl.Fc1ccc(C23CCCNCC(CO2)O3)cc1
InChIInChI=1S/C13H16FNO2.ClH/c14-11-4-2-10(3-5-11)13-6-1-7-15-8-12(17-13)9-16-13;/h2-5,12,15H,1,6-9H2;1H
InChIKeyFYTCVBQEZILHEA-UHFFFAOYSA-N
MW273.73 g/mol
LogP2.20
Rot. Bonds1

About 7-(4-fluorophenyl)-8,10-dioxa-3-azabicyclo[5.2.1]decane;hydrochloride

7-(4-fluorophenyl)-8,10-dioxa-3-azabicyclo[5.2.1]decane;hydrochloride (PubChem CID 3069304) has the molecular formula C13H17ClFNO2 and a molecular weight of 273.73 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-8,10-dioxa-3-azabicyclo[5.2.1]decane;hydrochloride.

Molecular Properties

Compound Name7-(4-fluorophenyl)-8,10-dioxa-3-azabicyclo[5.2.1]decane;hydrochloride
PubChem CID3069304
Molecular FormulaC13H17ClFNO2
Molecular Weight273.73 g/mol
Exact Mass273.09
IUPAC Name7-(4-fluorophenyl)-8,10-dioxa-3-azabicyclo[5.2.1]decane;hydrochloride
SMILESCl.Fc1ccc(C23CCCNCC(CO2)O3)cc1
InChIInChI=1S/C13H16FNO2.ClH/c14-11-4-2-10(3-5-11)13-6-1-7-15-8-12(17-13)9-16-13;/h2-5,12,15H,1,6-9H2;1H
InChIKeyFYTCVBQEZILHEA-UHFFFAOYSA-N
XLogP2.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-8,10-dioxa-3-azabicyclo[5.2.1]decane;hydrochloride?
The IUPAC name of 7-(4-fluorophenyl)-8,10-dioxa-3-azabicyclo[5.2.1]decane;hydrochloride (CID 3069304) is 7-(4-fluorophenyl)-8,10-dioxa-3-azabicyclo[5.2.1]decane;hydrochloride.
What is the SMILES notation for 7-(4-fluorophenyl)-8,10-dioxa-3-azabicyclo[5.2.1]decane;hydrochloride?
The canonical SMILES for 7-(4-fluorophenyl)-8,10-dioxa-3-azabicyclo[5.2.1]decane;hydrochloride is Cl.Fc1ccc(C23CCCNCC(CO2)O3)cc1.
What is the InChIKey of 7-(4-fluorophenyl)-8,10-dioxa-3-azabicyclo[5.2.1]decane;hydrochloride?
The InChIKey is FYTCVBQEZILHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2.ClH/c14-11-4-2-10(3-5-11)13-6-1-7-15-8-12(17-13)9-16-13;/h2-5,12,15H,1,6-9H2;1H.
What are the key properties of 7-(4-fluorophenyl)-8,10-dioxa-3-azabicyclo[5.2.1]decane;hydrochloride?
7-(4-fluorophenyl)-8,10-dioxa-3-azabicyclo[5.2.1]decane;hydrochloride has a molecular weight of 273.73 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-8,10-dioxa-3-azabicyclo[5.2.1]decane;hydrochloride is sourced from PubChem (CID 3069304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).