3-[2-(2,2-difluoroethenyl)phenyl]pyridazine

C12H8F2N2 — CID 59847983

IUPAC3-[2-(2,2-difluoroethenyl)phenyl]pyridazine
SMILESFC(F)=Cc1ccccc1-c1cccnn1
InChIInChI=1S/C12H8F2N2/c13-12(14)8-9-4-1-2-5-10(9)11-6-3-7-15-16-11/h1-8H
InChIKeyPDJGFJSSDKXWBN-UHFFFAOYSA-N
MW218.21 g/mol
LogP3.38
Rot. Bonds2

About 3-[2-(2,2-difluoroethenyl)phenyl]pyridazine

3-[2-(2,2-difluoroethenyl)phenyl]pyridazine (PubChem CID 59847983) has the molecular formula C12H8F2N2 and a molecular weight of 218.21 g/mol. Its IUPAC name is 3-[2-(2,2-difluoroethenyl)phenyl]pyridazine.

Molecular Properties

Compound Name3-[2-(2,2-difluoroethenyl)phenyl]pyridazine
PubChem CID59847983
Molecular FormulaC12H8F2N2
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name3-[2-(2,2-difluoroethenyl)phenyl]pyridazine
SMILESFC(F)=Cc1ccccc1-c1cccnn1
InChIInChI=1S/C12H8F2N2/c13-12(14)8-9-4-1-2-5-10(9)11-6-3-7-15-16-11/h1-8H
InChIKeyPDJGFJSSDKXWBN-UHFFFAOYSA-N
XLogP3.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,2-difluoroethenyl)phenyl]pyridazine?
The IUPAC name of 3-[2-(2,2-difluoroethenyl)phenyl]pyridazine (CID 59847983) is 3-[2-(2,2-difluoroethenyl)phenyl]pyridazine.
What is the SMILES notation for 3-[2-(2,2-difluoroethenyl)phenyl]pyridazine?
The canonical SMILES for 3-[2-(2,2-difluoroethenyl)phenyl]pyridazine is FC(F)=Cc1ccccc1-c1cccnn1.
What is the InChIKey of 3-[2-(2,2-difluoroethenyl)phenyl]pyridazine?
The InChIKey is PDJGFJSSDKXWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N2/c13-12(14)8-9-4-1-2-5-10(9)11-6-3-7-15-16-11/h1-8H.
What are the key properties of 3-[2-(2,2-difluoroethenyl)phenyl]pyridazine?
3-[2-(2,2-difluoroethenyl)phenyl]pyridazine has a molecular weight of 218.21 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,2-difluoroethenyl)phenyl]pyridazine is sourced from PubChem (CID 59847983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).