1-fluoro-11H-indeno[1,2-h]isoquinoline

C16H10FN — CID 156630823

IUPAC1-fluoro-11H-indeno[1,2-h]isoquinoline
SMILESFc1nccc2ccc3c(c12)Cc1ccccc1-3
InChIInChI=1S/C16H10FN/c17-16-15-10(7-8-18-16)5-6-13-12-4-2-1-3-11(12)9-14(13)15/h1-8H,9H2
InChIKeyHXEIGCIIZQHPEY-UHFFFAOYSA-N
MW235.26 g/mol
LogP3.95
Rot. Bonds

About 1-fluoro-11H-indeno[1,2-h]isoquinoline

1-fluoro-11H-indeno[1,2-h]isoquinoline (PubChem CID 156630823) has the molecular formula C16H10FN and a molecular weight of 235.26 g/mol. Its IUPAC name is 1-fluoro-11H-indeno[1,2-h]isoquinoline.

Molecular Properties

Compound Name1-fluoro-11H-indeno[1,2-h]isoquinoline
PubChem CID156630823
Molecular FormulaC16H10FN
Molecular Weight235.26 g/mol
Exact Mass235.08
IUPAC Name1-fluoro-11H-indeno[1,2-h]isoquinoline
SMILESFc1nccc2ccc3c(c12)Cc1ccccc1-3
InChIInChI=1S/C16H10FN/c17-16-15-10(7-8-18-16)5-6-13-12-4-2-1-3-11(12)9-14(13)15/h1-8H,9H2
InChIKeyHXEIGCIIZQHPEY-UHFFFAOYSA-N
XLogP3.95
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-11H-indeno[1,2-h]isoquinoline?
The IUPAC name of 1-fluoro-11H-indeno[1,2-h]isoquinoline (CID 156630823) is 1-fluoro-11H-indeno[1,2-h]isoquinoline.
What is the SMILES notation for 1-fluoro-11H-indeno[1,2-h]isoquinoline?
The canonical SMILES for 1-fluoro-11H-indeno[1,2-h]isoquinoline is Fc1nccc2ccc3c(c12)Cc1ccccc1-3.
What is the InChIKey of 1-fluoro-11H-indeno[1,2-h]isoquinoline?
The InChIKey is HXEIGCIIZQHPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN/c17-16-15-10(7-8-18-16)5-6-13-12-4-2-1-3-11(12)9-14(13)15/h1-8H,9H2.
What are the key properties of 1-fluoro-11H-indeno[1,2-h]isoquinoline?
1-fluoro-11H-indeno[1,2-h]isoquinoline has a molecular weight of 235.26 g/mol, XLogP of 3.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-11H-indeno[1,2-h]isoquinoline is sourced from PubChem (CID 156630823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).