3-[(E)-2-(6-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-8-azabicyclo[3.2.1]octane

C15H20FN — CID 70842087

IUPAC3-[(E)-2-(6-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-8-azabicyclo[3.2.1]octane
SMILESFC1CC=CC=C1/C=C/C1CC2CCC(C1)N2
InChIInChI=1S/C15H20FN/c16-15-4-2-1-3-12(15)6-5-11-9-13-7-8-14(10-11)17-13/h1-3,5-6,11,13-15,17H,4,7-10H2/b6-5+
InChIKeyXRBSCYIAQPRICB-AATRIKPKSA-N
MW233.33 g/mol
LogP3.30
Rot. Bonds2

About 3-[(E)-2-(6-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-8-azabicyclo[3.2.1]octane

3-[(E)-2-(6-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-8-azabicyclo[3.2.1]octane (PubChem CID 70842087) has the molecular formula C15H20FN and a molecular weight of 233.33 g/mol. Its IUPAC name is 3-[(E)-2-(6-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-[(E)-2-(6-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-8-azabicyclo[3.2.1]octane
PubChem CID70842087
Molecular FormulaC15H20FN
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC Name3-[(E)-2-(6-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-8-azabicyclo[3.2.1]octane
SMILESFC1CC=CC=C1/C=C/C1CC2CCC(C1)N2
InChIInChI=1S/C15H20FN/c16-15-4-2-1-3-12(15)6-5-11-9-13-7-8-14(10-11)17-13/h1-3,5-6,11,13-15,17H,4,7-10H2/b6-5+
InChIKeyXRBSCYIAQPRICB-AATRIKPKSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(6-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-[(E)-2-(6-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-8-azabicyclo[3.2.1]octane (CID 70842087) is 3-[(E)-2-(6-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-[(E)-2-(6-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-[(E)-2-(6-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-8-azabicyclo[3.2.1]octane is FC1CC=CC=C1/C=C/C1CC2CCC(C1)N2.
What is the InChIKey of 3-[(E)-2-(6-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-8-azabicyclo[3.2.1]octane?
The InChIKey is XRBSCYIAQPRICB-AATRIKPKSA-N. The full InChI is InChI=1S/C15H20FN/c16-15-4-2-1-3-12(15)6-5-11-9-13-7-8-14(10-11)17-13/h1-3,5-6,11,13-15,17H,4,7-10H2/b6-5+.
What are the key properties of 3-[(E)-2-(6-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-8-azabicyclo[3.2.1]octane?
3-[(E)-2-(6-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-8-azabicyclo[3.2.1]octane has a molecular weight of 233.33 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(6-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 70842087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).