3-(cyclohexen-1-yl)-6-fluoroisoquinoline

C15H14FN — CID 25058381

IUPAC3-(cyclohexen-1-yl)-6-fluoroisoquinoline
SMILESFc1ccc2cnc(C3=CCCCC3)cc2c1
InChIInChI=1S/C15H14FN/c16-14-7-6-12-10-17-15(9-13(12)8-14)11-4-2-1-3-5-11/h4,6-10H,1-3,5H2
InChIKeyQPJGOQQWNJSXRG-UHFFFAOYSA-N
MW227.28 g/mol
LogP4.33
Rot. Bonds1

About 3-(cyclohexen-1-yl)-6-fluoroisoquinoline

3-(cyclohexen-1-yl)-6-fluoroisoquinoline (PubChem CID 25058381) has the molecular formula C15H14FN and a molecular weight of 227.28 g/mol. Its IUPAC name is 3-(cyclohexen-1-yl)-6-fluoroisoquinoline.

Molecular Properties

Compound Name3-(cyclohexen-1-yl)-6-fluoroisoquinoline
PubChem CID25058381
Molecular FormulaC15H14FN
Molecular Weight227.28 g/mol
Exact Mass227.11
IUPAC Name3-(cyclohexen-1-yl)-6-fluoroisoquinoline
SMILESFc1ccc2cnc(C3=CCCCC3)cc2c1
InChIInChI=1S/C15H14FN/c16-14-7-6-12-10-17-15(9-13(12)8-14)11-4-2-1-3-5-11/h4,6-10H,1-3,5H2
InChIKeyQPJGOQQWNJSXRG-UHFFFAOYSA-N
XLogP4.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexen-1-yl)-6-fluoroisoquinoline?
The IUPAC name of 3-(cyclohexen-1-yl)-6-fluoroisoquinoline (CID 25058381) is 3-(cyclohexen-1-yl)-6-fluoroisoquinoline.
What is the SMILES notation for 3-(cyclohexen-1-yl)-6-fluoroisoquinoline?
The canonical SMILES for 3-(cyclohexen-1-yl)-6-fluoroisoquinoline is Fc1ccc2cnc(C3=CCCCC3)cc2c1.
What is the InChIKey of 3-(cyclohexen-1-yl)-6-fluoroisoquinoline?
The InChIKey is QPJGOQQWNJSXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN/c16-14-7-6-12-10-17-15(9-13(12)8-14)11-4-2-1-3-5-11/h4,6-10H,1-3,5H2.
What are the key properties of 3-(cyclohexen-1-yl)-6-fluoroisoquinoline?
3-(cyclohexen-1-yl)-6-fluoroisoquinoline has a molecular weight of 227.28 g/mol, XLogP of 4.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-yl)-6-fluoroisoquinoline is sourced from PubChem (CID 25058381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).