3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridazine

C10H14F2N2O — CID 58044468

IUPAC3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridazine
SMILESCC(C)(C)C(F)(F)OCc1cccnn1
InChIInChI=1S/C10H14F2N2O/c1-9(2,3)10(11,12)15-7-8-5-4-6-13-14-8/h4-6H,7H2,1-3H3
InChIKeyRIWPXJROIWIANT-UHFFFAOYSA-N
MW216.23 g/mol
LogP2.63
Rot. Bonds3

About 3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridazine

3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridazine (PubChem CID 58044468) has the molecular formula C10H14F2N2O and a molecular weight of 216.23 g/mol. Its IUPAC name is 3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridazine.

Molecular Properties

Compound Name3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridazine
PubChem CID58044468
Molecular FormulaC10H14F2N2O
Molecular Weight216.23 g/mol
Exact Mass216.11
IUPAC Name3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridazine
SMILESCC(C)(C)C(F)(F)OCc1cccnn1
InChIInChI=1S/C10H14F2N2O/c1-9(2,3)10(11,12)15-7-8-5-4-6-13-14-8/h4-6H,7H2,1-3H3
InChIKeyRIWPXJROIWIANT-UHFFFAOYSA-N
XLogP2.63
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridazine?
The IUPAC name of 3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridazine (CID 58044468) is 3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridazine.
What is the SMILES notation for 3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridazine?
The canonical SMILES for 3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridazine is CC(C)(C)C(F)(F)OCc1cccnn1.
What is the InChIKey of 3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridazine?
The InChIKey is RIWPXJROIWIANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O/c1-9(2,3)10(11,12)15-7-8-5-4-6-13-14-8/h4-6H,7H2,1-3H3.
What are the key properties of 3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridazine?
3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridazine has a molecular weight of 216.23 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridazine is sourced from PubChem (CID 58044468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).