3-(3,5-difluorophenyl)-4,6-dimethylpyridazine;ethane

C14H16F2N2 — CID 143839774

IUPAC3-(3,5-difluorophenyl)-4,6-dimethylpyridazine;ethane
SMILESCC.Cc1cc(C)c(-c2cc(F)cc(F)c2)nn1
InChIInChI=1S/C12H10F2N2.C2H6/c1-7-3-8(2)15-16-12(7)9-4-10(13)6-11(14)5-9;1-2/h3-6H,1-2H3;1-2H3
InChIKeyCMGXMCSSOCCRFT-UHFFFAOYSA-N
MW250.29 g/mol
LogP4.06
Rot. Bonds1

About 3-(3,5-difluorophenyl)-4,6-dimethylpyridazine;ethane

3-(3,5-difluorophenyl)-4,6-dimethylpyridazine;ethane (PubChem CID 143839774) has the molecular formula C14H16F2N2 and a molecular weight of 250.29 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-4,6-dimethylpyridazine;ethane.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-4,6-dimethylpyridazine;ethane
PubChem CID143839774
Molecular FormulaC14H16F2N2
Molecular Weight250.29 g/mol
Exact Mass250.13
IUPAC Name3-(3,5-difluorophenyl)-4,6-dimethylpyridazine;ethane
SMILESCC.Cc1cc(C)c(-c2cc(F)cc(F)c2)nn1
InChIInChI=1S/C12H10F2N2.C2H6/c1-7-3-8(2)15-16-12(7)9-4-10(13)6-11(14)5-9;1-2/h3-6H,1-2H3;1-2H3
InChIKeyCMGXMCSSOCCRFT-UHFFFAOYSA-N
XLogP4.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-4,6-dimethylpyridazine;ethane?
The IUPAC name of 3-(3,5-difluorophenyl)-4,6-dimethylpyridazine;ethane (CID 143839774) is 3-(3,5-difluorophenyl)-4,6-dimethylpyridazine;ethane.
What is the SMILES notation for 3-(3,5-difluorophenyl)-4,6-dimethylpyridazine;ethane?
The canonical SMILES for 3-(3,5-difluorophenyl)-4,6-dimethylpyridazine;ethane is CC.Cc1cc(C)c(-c2cc(F)cc(F)c2)nn1.
What is the InChIKey of 3-(3,5-difluorophenyl)-4,6-dimethylpyridazine;ethane?
The InChIKey is CMGXMCSSOCCRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2.C2H6/c1-7-3-8(2)15-16-12(7)9-4-10(13)6-11(14)5-9;1-2/h3-6H,1-2H3;1-2H3.
What are the key properties of 3-(3,5-difluorophenyl)-4,6-dimethylpyridazine;ethane?
3-(3,5-difluorophenyl)-4,6-dimethylpyridazine;ethane has a molecular weight of 250.29 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-4,6-dimethylpyridazine;ethane is sourced from PubChem (CID 143839774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).