3-[bis(4-fluorophenyl)methoxy]-8-prop-2-enyl-8-azabicyclo[3.2.1]octane

C23H25F2NO — CID 24848444

IUPAC3-[bis(4-fluorophenyl)methoxy]-8-prop-2-enyl-8-azabicyclo[3.2.1]octane
SMILESC=CCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2
InChIInChI=1S/C23H25F2NO/c1-2-13-26-20-11-12-21(26)15-22(14-20)27-23(16-3-7-18(24)8-4-16)17-5-9-19(25)10-6-17/h2-10,20-23H,1,11-15H2
InChIKeyWDOKGNOTOAMJEX-UHFFFAOYSA-N
MW369.46 g/mol
LogP5.25
Rot. Bonds6

About 3-[bis(4-fluorophenyl)methoxy]-8-prop-2-enyl-8-azabicyclo[3.2.1]octane

3-[bis(4-fluorophenyl)methoxy]-8-prop-2-enyl-8-azabicyclo[3.2.1]octane (PubChem CID 24848444) has the molecular formula C23H25F2NO and a molecular weight of 369.46 g/mol. Its IUPAC name is 3-[bis(4-fluorophenyl)methoxy]-8-prop-2-enyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-[bis(4-fluorophenyl)methoxy]-8-prop-2-enyl-8-azabicyclo[3.2.1]octane
PubChem CID24848444
Molecular FormulaC23H25F2NO
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Name3-[bis(4-fluorophenyl)methoxy]-8-prop-2-enyl-8-azabicyclo[3.2.1]octane
SMILESC=CCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2
InChIInChI=1S/C23H25F2NO/c1-2-13-26-20-11-12-21(26)15-22(14-20)27-23(16-3-7-18(24)8-4-16)17-5-9-19(25)10-6-17/h2-10,20-23H,1,11-15H2
InChIKeyWDOKGNOTOAMJEX-UHFFFAOYSA-N
XLogP5.25
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.46
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(4-fluorophenyl)methoxy]-8-prop-2-enyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-[bis(4-fluorophenyl)methoxy]-8-prop-2-enyl-8-azabicyclo[3.2.1]octane (CID 24848444) is 3-[bis(4-fluorophenyl)methoxy]-8-prop-2-enyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-[bis(4-fluorophenyl)methoxy]-8-prop-2-enyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-[bis(4-fluorophenyl)methoxy]-8-prop-2-enyl-8-azabicyclo[3.2.1]octane is C=CCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2.
What is the InChIKey of 3-[bis(4-fluorophenyl)methoxy]-8-prop-2-enyl-8-azabicyclo[3.2.1]octane?
The InChIKey is WDOKGNOTOAMJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2NO/c1-2-13-26-20-11-12-21(26)15-22(14-20)27-23(16-3-7-18(24)8-4-16)17-5-9-19(25)10-6-17/h2-10,20-23H,1,11-15H2.
What are the key properties of 3-[bis(4-fluorophenyl)methoxy]-8-prop-2-enyl-8-azabicyclo[3.2.1]octane?
3-[bis(4-fluorophenyl)methoxy]-8-prop-2-enyl-8-azabicyclo[3.2.1]octane has a molecular weight of 369.46 g/mol, XLogP of 5.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(4-fluorophenyl)methoxy]-8-prop-2-enyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 24848444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).