5-(1-fluoroethoxy)-1-azabicyclo[4.1.0]hepta-2,4,6-triene

C8H8FNO — CID 154953334

IUPAC5-(1-fluoroethoxy)-1-azabicyclo[4.1.0]hepta-2,4,6-triene
SMILESCC(F)OC1=CC=CN2C=C12
InChIInChI=1S/C8H8FNO/c1-6(9)11-8-3-2-4-10-5-7(8)10/h2-6H,1H3
InChIKeySVNKWZUWERLAEC-UHFFFAOYSA-N
MW153.16 g/mol
LogP1.89
Rot. Bonds2

About 5-(1-fluoroethoxy)-1-azabicyclo[4.1.0]hepta-2,4,6-triene

5-(1-fluoroethoxy)-1-azabicyclo[4.1.0]hepta-2,4,6-triene (PubChem CID 154953334) has the molecular formula C8H8FNO and a molecular weight of 153.16 g/mol. Its IUPAC name is 5-(1-fluoroethoxy)-1-azabicyclo[4.1.0]hepta-2,4,6-triene.

Molecular Properties

Compound Name5-(1-fluoroethoxy)-1-azabicyclo[4.1.0]hepta-2,4,6-triene
PubChem CID154953334
Molecular FormulaC8H8FNO
Molecular Weight153.16 g/mol
Exact Mass153.06
IUPAC Name5-(1-fluoroethoxy)-1-azabicyclo[4.1.0]hepta-2,4,6-triene
SMILESCC(F)OC1=CC=CN2C=C12
InChIInChI=1S/C8H8FNO/c1-6(9)11-8-3-2-4-10-5-7(8)10/h2-6H,1H3
InChIKeySVNKWZUWERLAEC-UHFFFAOYSA-N
XLogP1.89
TPSA12.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.16
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-fluoroethoxy)-1-azabicyclo[4.1.0]hepta-2,4,6-triene?
The IUPAC name of 5-(1-fluoroethoxy)-1-azabicyclo[4.1.0]hepta-2,4,6-triene (CID 154953334) is 5-(1-fluoroethoxy)-1-azabicyclo[4.1.0]hepta-2,4,6-triene.
What is the SMILES notation for 5-(1-fluoroethoxy)-1-azabicyclo[4.1.0]hepta-2,4,6-triene?
The canonical SMILES for 5-(1-fluoroethoxy)-1-azabicyclo[4.1.0]hepta-2,4,6-triene is CC(F)OC1=CC=CN2C=C12.
What is the InChIKey of 5-(1-fluoroethoxy)-1-azabicyclo[4.1.0]hepta-2,4,6-triene?
The InChIKey is SVNKWZUWERLAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO/c1-6(9)11-8-3-2-4-10-5-7(8)10/h2-6H,1H3.
What are the key properties of 5-(1-fluoroethoxy)-1-azabicyclo[4.1.0]hepta-2,4,6-triene?
5-(1-fluoroethoxy)-1-azabicyclo[4.1.0]hepta-2,4,6-triene has a molecular weight of 153.16 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-fluoroethoxy)-1-azabicyclo[4.1.0]hepta-2,4,6-triene is sourced from PubChem (CID 154953334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).