3-(1,1-difluoroethyl)-6-methoxypyridazine;1-(6-methoxypyridazin-3-yl)ethanone

C14H16F2N4O3 — CID 162030101

IUPAC3-(1,1-difluoroethyl)-6-methoxypyridazine;1-(6-methoxypyridazin-3-yl)ethanone
SMILESCOc1ccc(C(C)(F)F)nn1.COc1ccc(C(C)=O)nn1
InChIInChI=1S/C7H8F2N2O.C7H8N2O2/c1-7(8,9)5-3-4-6(12-2)11-10-5;1-5(10)6-3-4-7(11-2)9-8-6/h3-4H,1-2H3;3-4H,1-2H3
InChIKeyYVXDQNFLXUSFKJ-UHFFFAOYSA-N
MW326.30 g/mol
LogP2.28
Rot. Bonds4

About 3-(1,1-difluoroethyl)-6-methoxypyridazine;1-(6-methoxypyridazin-3-yl)ethanone

3-(1,1-difluoroethyl)-6-methoxypyridazine;1-(6-methoxypyridazin-3-yl)ethanone (PubChem CID 162030101) has the molecular formula C14H16F2N4O3 and a molecular weight of 326.30 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-6-methoxypyridazine;1-(6-methoxypyridazin-3-yl)ethanone.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-6-methoxypyridazine;1-(6-methoxypyridazin-3-yl)ethanone
PubChem CID162030101
Molecular FormulaC14H16F2N4O3
Molecular Weight326.30 g/mol
Exact Mass326.12
IUPAC Name3-(1,1-difluoroethyl)-6-methoxypyridazine;1-(6-methoxypyridazin-3-yl)ethanone
SMILESCOc1ccc(C(C)(F)F)nn1.COc1ccc(C(C)=O)nn1
InChIInChI=1S/C7H8F2N2O.C7H8N2O2/c1-7(8,9)5-3-4-6(12-2)11-10-5;1-5(10)6-3-4-7(11-2)9-8-6/h3-4H,1-2H3;3-4H,1-2H3
InChIKeyYVXDQNFLXUSFKJ-UHFFFAOYSA-N
XLogP2.28
TPSA87.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-6-methoxypyridazine;1-(6-methoxypyridazin-3-yl)ethanone?
The IUPAC name of 3-(1,1-difluoroethyl)-6-methoxypyridazine;1-(6-methoxypyridazin-3-yl)ethanone (CID 162030101) is 3-(1,1-difluoroethyl)-6-methoxypyridazine;1-(6-methoxypyridazin-3-yl)ethanone.
What is the SMILES notation for 3-(1,1-difluoroethyl)-6-methoxypyridazine;1-(6-methoxypyridazin-3-yl)ethanone?
The canonical SMILES for 3-(1,1-difluoroethyl)-6-methoxypyridazine;1-(6-methoxypyridazin-3-yl)ethanone is COc1ccc(C(C)(F)F)nn1.COc1ccc(C(C)=O)nn1.
What is the InChIKey of 3-(1,1-difluoroethyl)-6-methoxypyridazine;1-(6-methoxypyridazin-3-yl)ethanone?
The InChIKey is YVXDQNFLXUSFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O.C7H8N2O2/c1-7(8,9)5-3-4-6(12-2)11-10-5;1-5(10)6-3-4-7(11-2)9-8-6/h3-4H,1-2H3;3-4H,1-2H3.
What are the key properties of 3-(1,1-difluoroethyl)-6-methoxypyridazine;1-(6-methoxypyridazin-3-yl)ethanone?
3-(1,1-difluoroethyl)-6-methoxypyridazine;1-(6-methoxypyridazin-3-yl)ethanone has a molecular weight of 326.30 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-6-methoxypyridazine;1-(6-methoxypyridazin-3-yl)ethanone is sourced from PubChem (CID 162030101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).