1-fluoro-5-phenyl-3-azabicyclo[3.1.0]hexane

C11H12FN — CID 44561133

IUPAC1-fluoro-5-phenyl-3-azabicyclo[3.1.0]hexane
SMILESFC12CNCC1(c1ccccc1)C2
InChIInChI=1S/C11H12FN/c12-11-6-10(11,7-13-8-11)9-4-2-1-3-5-9/h1-5,13H,6-8H2
InChIKeyOSYUYUPNSGSVAL-UHFFFAOYSA-N
MW177.22 g/mol
LogP1.64
Rot. Bonds1

About 1-fluoro-5-phenyl-3-azabicyclo[3.1.0]hexane

1-fluoro-5-phenyl-3-azabicyclo[3.1.0]hexane (PubChem CID 44561133) has the molecular formula C11H12FN and a molecular weight of 177.22 g/mol. Its IUPAC name is 1-fluoro-5-phenyl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1-fluoro-5-phenyl-3-azabicyclo[3.1.0]hexane
PubChem CID44561133
Molecular FormulaC11H12FN
Molecular Weight177.22 g/mol
Exact Mass177.10
IUPAC Name1-fluoro-5-phenyl-3-azabicyclo[3.1.0]hexane
SMILESFC12CNCC1(c1ccccc1)C2
InChIInChI=1S/C11H12FN/c12-11-6-10(11,7-13-8-11)9-4-2-1-3-5-9/h1-5,13H,6-8H2
InChIKeyOSYUYUPNSGSVAL-UHFFFAOYSA-N
XLogP1.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-5-phenyl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 1-fluoro-5-phenyl-3-azabicyclo[3.1.0]hexane (CID 44561133) is 1-fluoro-5-phenyl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 1-fluoro-5-phenyl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 1-fluoro-5-phenyl-3-azabicyclo[3.1.0]hexane is FC12CNCC1(c1ccccc1)C2.
What is the InChIKey of 1-fluoro-5-phenyl-3-azabicyclo[3.1.0]hexane?
The InChIKey is OSYUYUPNSGSVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN/c12-11-6-10(11,7-13-8-11)9-4-2-1-3-5-9/h1-5,13H,6-8H2.
What are the key properties of 1-fluoro-5-phenyl-3-azabicyclo[3.1.0]hexane?
1-fluoro-5-phenyl-3-azabicyclo[3.1.0]hexane has a molecular weight of 177.22 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-5-phenyl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 44561133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).