6-(3-fluorophenyl)-3-azabicyclo[3.2.0]heptane

C12H14FN — CID 14936096

IUPAC6-(3-fluorophenyl)-3-azabicyclo[3.2.0]heptane
SMILESFc1cccc(C2CC3CNCC32)c1
InChIInChI=1S/C12H14FN/c13-10-3-1-2-8(4-10)11-5-9-6-14-7-12(9)11/h1-4,9,11-12,14H,5-7H2
InChIKeyJTXJRQMVAYHBSJ-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.15
Rot. Bonds1

About 6-(3-fluorophenyl)-3-azabicyclo[3.2.0]heptane

6-(3-fluorophenyl)-3-azabicyclo[3.2.0]heptane (PubChem CID 14936096) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-3-azabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name6-(3-fluorophenyl)-3-azabicyclo[3.2.0]heptane
PubChem CID14936096
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Name6-(3-fluorophenyl)-3-azabicyclo[3.2.0]heptane
SMILESFc1cccc(C2CC3CNCC32)c1
InChIInChI=1S/C12H14FN/c13-10-3-1-2-8(4-10)11-5-9-6-14-7-12(9)11/h1-4,9,11-12,14H,5-7H2
InChIKeyJTXJRQMVAYHBSJ-UHFFFAOYSA-N
XLogP2.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-3-azabicyclo[3.2.0]heptane?
The IUPAC name of 6-(3-fluorophenyl)-3-azabicyclo[3.2.0]heptane (CID 14936096) is 6-(3-fluorophenyl)-3-azabicyclo[3.2.0]heptane.
What is the SMILES notation for 6-(3-fluorophenyl)-3-azabicyclo[3.2.0]heptane?
The canonical SMILES for 6-(3-fluorophenyl)-3-azabicyclo[3.2.0]heptane is Fc1cccc(C2CC3CNCC32)c1.
What is the InChIKey of 6-(3-fluorophenyl)-3-azabicyclo[3.2.0]heptane?
The InChIKey is JTXJRQMVAYHBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN/c13-10-3-1-2-8(4-10)11-5-9-6-14-7-12(9)11/h1-4,9,11-12,14H,5-7H2.
What are the key properties of 6-(3-fluorophenyl)-3-azabicyclo[3.2.0]heptane?
6-(3-fluorophenyl)-3-azabicyclo[3.2.0]heptane has a molecular weight of 191.25 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-3-azabicyclo[3.2.0]heptane is sourced from PubChem (CID 14936096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).