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

C15H20FN — CID 22405853

IUPAC6-(4-fluorophenyl)-3-propyl-3-azabicyclo[3.2.0]heptane
SMILESCCCN1CC2CC(c3ccc(F)cc3)C2C1
InChIInChI=1S/C15H20FN/c1-2-7-17-9-12-8-14(15(12)10-17)11-3-5-13(16)6-4-11/h3-6,12,14-15H,2,7-10H2,1H3
InChIKeyYUFHNFUBRXLDAY-UHFFFAOYSA-N
MW233.33 g/mol
LogP3.27
Rot. Bonds3

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

6-(4-fluorophenyl)-3-propyl-3-azabicyclo[3.2.0]heptane (PubChem CID 22405853) has the molecular formula C15H20FN and a molecular weight of 233.33 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-propyl-3-azabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-propyl-3-azabicyclo[3.2.0]heptane
PubChem CID22405853
Molecular FormulaC15H20FN
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC Name6-(4-fluorophenyl)-3-propyl-3-azabicyclo[3.2.0]heptane
SMILESCCCN1CC2CC(c3ccc(F)cc3)C2C1
InChIInChI=1S/C15H20FN/c1-2-7-17-9-12-8-14(15(12)10-17)11-3-5-13(16)6-4-11/h3-6,12,14-15H,2,7-10H2,1H3
InChIKeyYUFHNFUBRXLDAY-UHFFFAOYSA-N
XLogP3.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-propyl-3-azabicyclo[3.2.0]heptane?
The IUPAC name of 6-(4-fluorophenyl)-3-propyl-3-azabicyclo[3.2.0]heptane (CID 22405853) is 6-(4-fluorophenyl)-3-propyl-3-azabicyclo[3.2.0]heptane.
What is the SMILES notation for 6-(4-fluorophenyl)-3-propyl-3-azabicyclo[3.2.0]heptane?
The canonical SMILES for 6-(4-fluorophenyl)-3-propyl-3-azabicyclo[3.2.0]heptane is CCCN1CC2CC(c3ccc(F)cc3)C2C1.
What is the InChIKey of 6-(4-fluorophenyl)-3-propyl-3-azabicyclo[3.2.0]heptane?
The InChIKey is YUFHNFUBRXLDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN/c1-2-7-17-9-12-8-14(15(12)10-17)11-3-5-13(16)6-4-11/h3-6,12,14-15H,2,7-10H2,1H3.
What are the key properties of 6-(4-fluorophenyl)-3-propyl-3-azabicyclo[3.2.0]heptane?
6-(4-fluorophenyl)-3-propyl-3-azabicyclo[3.2.0]heptane has a molecular weight of 233.33 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-propyl-3-azabicyclo[3.2.0]heptane is sourced from PubChem (CID 22405853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).