3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridazine

C7H4F6N2O — CID 87242116

IUPAC3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridazine
SMILESFC(F)(F)C(Oc1cccnn1)C(F)(F)F
InChIInChI=1S/C7H4F6N2O/c8-6(9,10)5(7(11,12)13)16-4-2-1-3-14-15-4/h1-3,5H
InChIKeyZYXNKAZGRSLZAL-UHFFFAOYSA-N
MW246.11 g/mol
LogP2.35
Rot. Bonds2

About 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridazine

3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridazine (PubChem CID 87242116) has the molecular formula C7H4F6N2O and a molecular weight of 246.11 g/mol. Its IUPAC name is 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridazine.

Molecular Properties

Compound Name3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridazine
PubChem CID87242116
Molecular FormulaC7H4F6N2O
Molecular Weight246.11 g/mol
Exact Mass246.02
IUPAC Name3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridazine
SMILESFC(F)(F)C(Oc1cccnn1)C(F)(F)F
InChIInChI=1S/C7H4F6N2O/c8-6(9,10)5(7(11,12)13)16-4-2-1-3-14-15-4/h1-3,5H
InChIKeyZYXNKAZGRSLZAL-UHFFFAOYSA-N
XLogP2.35
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.11
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methoxypyridazine
CID 292493
Ethoxypyrazine
CID 520878
3-Butoxypyridazine
CID 23273467
3-[(2-Methylpropan-2-yl)oxy]pyridazine
CID 53788700
3-(2-Methoxyethoxy)pyridazine
CID 85682365
3-(1,1,1,2,3,3-Hexafluoropropan-2-yloxy)pyridazine
CID 87242115
5-(Difluoromethyl)-3-methoxypyridazine
CID 90115207
5-Chloro-3-(difluoromethoxy)pyridazine
CID 91286210
3-(Difluoromethoxy)-5-fluoropyridazine
CID 91333595
3-(Difluoromethoxy)-5-methylpyridazine
CID 91499460
3-(Difluoromethoxy)pyridazine
CID 91499566
3-(3-Fluoro-1-methylpiperidin-4-yl)oxypyridazine
CID 123763735

Frequently Asked Questions

What is the IUPAC name of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridazine?
The IUPAC name of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridazine (CID 87242116) is 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridazine.
What is the SMILES notation for 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridazine?
The canonical SMILES for 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridazine is FC(F)(F)C(Oc1cccnn1)C(F)(F)F.
What is the InChIKey of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridazine?
The InChIKey is ZYXNKAZGRSLZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F6N2O/c8-6(9,10)5(7(11,12)13)16-4-2-1-3-14-15-4/h1-3,5H.
What are the key properties of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridazine?
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridazine has a molecular weight of 246.11 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridazine is sourced from PubChem (CID 87242116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).