9-fluoro-5,6-dihydroimidazo[2,1-a]isoquinoline

C11H9FN2 — CID 11593564

IUPAC9-fluoro-5,6-dihydroimidazo[2,1-a]isoquinoline
SMILESFc1ccc2c(c1)-c1nccn1CC2
InChIInChI=1S/C11H9FN2/c12-9-2-1-8-3-5-14-6-4-13-11(14)10(8)7-9/h1-2,4,6-7H,3,5H2
InChIKeyFPLRMVIYMYTART-UHFFFAOYSA-N
MW188.21 g/mol
LogP2.25
Rot. Bonds

About 9-fluoro-5,6-dihydroimidazo[2,1-a]isoquinoline

9-fluoro-5,6-dihydroimidazo[2,1-a]isoquinoline (PubChem CID 11593564) has the molecular formula C11H9FN2 and a molecular weight of 188.21 g/mol. Its IUPAC name is 9-fluoro-5,6-dihydroimidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name9-fluoro-5,6-dihydroimidazo[2,1-a]isoquinoline
PubChem CID11593564
Molecular FormulaC11H9FN2
Molecular Weight188.21 g/mol
Exact Mass188.07
IUPAC Name9-fluoro-5,6-dihydroimidazo[2,1-a]isoquinoline
SMILESFc1ccc2c(c1)-c1nccn1CC2
InChIInChI=1S/C11H9FN2/c12-9-2-1-8-3-5-14-6-4-13-11(14)10(8)7-9/h1-2,4,6-7H,3,5H2
InChIKeyFPLRMVIYMYTART-UHFFFAOYSA-N
XLogP2.25
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.21
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-5,6-dihydroimidazo[2,1-a]isoquinoline?
The IUPAC name of 9-fluoro-5,6-dihydroimidazo[2,1-a]isoquinoline (CID 11593564) is 9-fluoro-5,6-dihydroimidazo[2,1-a]isoquinoline.
What is the SMILES notation for 9-fluoro-5,6-dihydroimidazo[2,1-a]isoquinoline?
The canonical SMILES for 9-fluoro-5,6-dihydroimidazo[2,1-a]isoquinoline is Fc1ccc2c(c1)-c1nccn1CC2.
What is the InChIKey of 9-fluoro-5,6-dihydroimidazo[2,1-a]isoquinoline?
The InChIKey is FPLRMVIYMYTART-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2/c12-9-2-1-8-3-5-14-6-4-13-11(14)10(8)7-9/h1-2,4,6-7H,3,5H2.
What are the key properties of 9-fluoro-5,6-dihydroimidazo[2,1-a]isoquinoline?
9-fluoro-5,6-dihydroimidazo[2,1-a]isoquinoline has a molecular weight of 188.21 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-5,6-dihydroimidazo[2,1-a]isoquinoline is sourced from PubChem (CID 11593564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).