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

C13H16FN — CID 22405814

IUPAC6-(4-fluorophenyl)-3-methyl-3-azabicyclo[3.2.0]heptane
SMILESCN1CC2CC(c3ccc(F)cc3)C2C1
InChIInChI=1S/C13H16FN/c1-15-7-10-6-12(13(10)8-15)9-2-4-11(14)5-3-9/h2-5,10,12-13H,6-8H2,1H3
InChIKeyYNVNPMXLNFHEMO-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.49
Rot. Bonds1

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

6-(4-fluorophenyl)-3-methyl-3-azabicyclo[3.2.0]heptane (PubChem CID 22405814) has the molecular formula C13H16FN and a molecular weight of 205.28 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-methyl-3-azabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-methyl-3-azabicyclo[3.2.0]heptane
PubChem CID22405814
Molecular FormulaC13H16FN
Molecular Weight205.28 g/mol
Exact Mass205.13
IUPAC Name6-(4-fluorophenyl)-3-methyl-3-azabicyclo[3.2.0]heptane
SMILESCN1CC2CC(c3ccc(F)cc3)C2C1
InChIInChI=1S/C13H16FN/c1-15-7-10-6-12(13(10)8-15)9-2-4-11(14)5-3-9/h2-5,10,12-13H,6-8H2,1H3
InChIKeyYNVNPMXLNFHEMO-UHFFFAOYSA-N
XLogP2.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-(4-fluorophenyl)-3-methyl-3-azabicyclo[3.2.0]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-methyl-3-azabicyclo[3.2.0]heptane?
The IUPAC name of 6-(4-fluorophenyl)-3-methyl-3-azabicyclo[3.2.0]heptane (CID 22405814) is 6-(4-fluorophenyl)-3-methyl-3-azabicyclo[3.2.0]heptane.
What is the SMILES notation for 6-(4-fluorophenyl)-3-methyl-3-azabicyclo[3.2.0]heptane?
The canonical SMILES for 6-(4-fluorophenyl)-3-methyl-3-azabicyclo[3.2.0]heptane is CN1CC2CC(c3ccc(F)cc3)C2C1.
What is the InChIKey of 6-(4-fluorophenyl)-3-methyl-3-azabicyclo[3.2.0]heptane?
The InChIKey is YNVNPMXLNFHEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN/c1-15-7-10-6-12(13(10)8-15)9-2-4-11(14)5-3-9/h2-5,10,12-13H,6-8H2,1H3.
What are the key properties of 6-(4-fluorophenyl)-3-methyl-3-azabicyclo[3.2.0]heptane?
6-(4-fluorophenyl)-3-methyl-3-azabicyclo[3.2.0]heptane has a molecular weight of 205.28 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-methyl-3-azabicyclo[3.2.0]heptane is sourced from PubChem (CID 22405814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).