4-[(E)-2-(2-fluorophenyl)ethenyl]cinnoline

C16H11FN2 — CID 6411449

IUPAC4-[(E)-2-(2-fluorophenyl)ethenyl]cinnoline
SMILESFc1ccccc1/C=C/c1cnnc2ccccc12
InChIInChI=1S/C16H11FN2/c17-15-7-3-1-5-12(15)9-10-13-11-18-19-16-8-4-2-6-14(13)16/h1-11H/b10-9+
InChIKeyYJVHQZFTKLOCMF-MDZDMXLPSA-N
MW250.28 g/mol
LogP3.94
Rot. Bonds2

About 4-[(E)-2-(2-fluorophenyl)ethenyl]cinnoline

4-[(E)-2-(2-fluorophenyl)ethenyl]cinnoline (PubChem CID 6411449) has the molecular formula C16H11FN2 and a molecular weight of 250.28 g/mol. Its IUPAC name is 4-[(E)-2-(2-fluorophenyl)ethenyl]cinnoline.

Molecular Properties

Compound Name4-[(E)-2-(2-fluorophenyl)ethenyl]cinnoline
PubChem CID6411449
Molecular FormulaC16H11FN2
Molecular Weight250.28 g/mol
Exact Mass250.09
IUPAC Name4-[(E)-2-(2-fluorophenyl)ethenyl]cinnoline
SMILESFc1ccccc1/C=C/c1cnnc2ccccc12
InChIInChI=1S/C16H11FN2/c17-15-7-3-1-5-12(15)9-10-13-11-18-19-16-8-4-2-6-14(13)16/h1-11H/b10-9+
InChIKeyYJVHQZFTKLOCMF-MDZDMXLPSA-N
XLogP3.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(2-fluorophenyl)ethenyl]cinnoline?
The IUPAC name of 4-[(E)-2-(2-fluorophenyl)ethenyl]cinnoline (CID 6411449) is 4-[(E)-2-(2-fluorophenyl)ethenyl]cinnoline.
What is the SMILES notation for 4-[(E)-2-(2-fluorophenyl)ethenyl]cinnoline?
The canonical SMILES for 4-[(E)-2-(2-fluorophenyl)ethenyl]cinnoline is Fc1ccccc1/C=C/c1cnnc2ccccc12.
What is the InChIKey of 4-[(E)-2-(2-fluorophenyl)ethenyl]cinnoline?
The InChIKey is YJVHQZFTKLOCMF-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H11FN2/c17-15-7-3-1-5-12(15)9-10-13-11-18-19-16-8-4-2-6-14(13)16/h1-11H/b10-9+.
What are the key properties of 4-[(E)-2-(2-fluorophenyl)ethenyl]cinnoline?
4-[(E)-2-(2-fluorophenyl)ethenyl]cinnoline has a molecular weight of 250.28 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(2-fluorophenyl)ethenyl]cinnoline is sourced from PubChem (CID 6411449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).