6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptane

C12H14FN — CID 14936090

IUPAC6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptane
SMILESFc1ccc(C2CC3CNCC32)cc1
InChIInChI=1S/C12H14FN/c13-10-3-1-8(2-4-10)11-5-9-6-14-7-12(9)11/h1-4,9,11-12,14H,5-7H2
InChIKeyJKAJCHKORMFKTQ-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.15
Rot. Bonds1

About 6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptane

6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptane (PubChem CID 14936090) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptane
PubChem CID14936090
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Name6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptane
SMILESFc1ccc(C2CC3CNCC32)cc1
InChIInChI=1S/C12H14FN/c13-10-3-1-8(2-4-10)11-5-9-6-14-7-12(9)11/h1-4,9,11-12,14H,5-7H2
InChIKeyJKAJCHKORMFKTQ-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-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptane?
The IUPAC name of 6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptane (CID 14936090) is 6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptane.
What is the SMILES notation for 6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptane?
The canonical SMILES for 6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptane is Fc1ccc(C2CC3CNCC32)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptane?
The InChIKey is JKAJCHKORMFKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN/c13-10-3-1-8(2-4-10)11-5-9-6-14-7-12(9)11/h1-4,9,11-12,14H,5-7H2.
What are the key properties of 6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptane?
6-(4-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-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptane is sourced from PubChem (CID 14936090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).