3-chloro-6-(2,2,3,3-tetrafluoropropoxymethyl)pyridazine

C8H7ClF4N2O — CID 104514160

IUPAC3-chloro-6-(2,2,3,3-tetrafluoropropoxymethyl)pyridazine
SMILESFC(F)C(F)(F)COCc1ccc(Cl)nn1
InChIInChI=1S/C8H7ClF4N2O/c9-6-2-1-5(14-15-6)3-16-4-8(12,13)7(10)11/h1-2,7H,3-4H2
InChIKeyGGXMICQPMRCMSL-UHFFFAOYSA-N
MW258.60 g/mol
LogP2.55
Rot. Bonds5

About 3-chloro-6-(2,2,3,3-tetrafluoropropoxymethyl)pyridazine

3-chloro-6-(2,2,3,3-tetrafluoropropoxymethyl)pyridazine (PubChem CID 104514160) has the molecular formula C8H7ClF4N2O and a molecular weight of 258.60 g/mol. Its IUPAC name is 3-chloro-6-(2,2,3,3-tetrafluoropropoxymethyl)pyridazine.

Molecular Properties

Compound Name3-chloro-6-(2,2,3,3-tetrafluoropropoxymethyl)pyridazine
PubChem CID104514160
Molecular FormulaC8H7ClF4N2O
Molecular Weight258.60 g/mol
Exact Mass258.02
IUPAC Name3-chloro-6-(2,2,3,3-tetrafluoropropoxymethyl)pyridazine
SMILESFC(F)C(F)(F)COCc1ccc(Cl)nn1
InChIInChI=1S/C8H7ClF4N2O/c9-6-2-1-5(14-15-6)3-16-4-8(12,13)7(10)11/h1-2,7H,3-4H2
InChIKeyGGXMICQPMRCMSL-UHFFFAOYSA-N
XLogP2.55
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.60
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(2,2,3,3-tetrafluoropropoxymethyl)pyridazine?
The IUPAC name of 3-chloro-6-(2,2,3,3-tetrafluoropropoxymethyl)pyridazine (CID 104514160) is 3-chloro-6-(2,2,3,3-tetrafluoropropoxymethyl)pyridazine.
What is the SMILES notation for 3-chloro-6-(2,2,3,3-tetrafluoropropoxymethyl)pyridazine?
The canonical SMILES for 3-chloro-6-(2,2,3,3-tetrafluoropropoxymethyl)pyridazine is FC(F)C(F)(F)COCc1ccc(Cl)nn1.
What is the InChIKey of 3-chloro-6-(2,2,3,3-tetrafluoropropoxymethyl)pyridazine?
The InChIKey is GGXMICQPMRCMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF4N2O/c9-6-2-1-5(14-15-6)3-16-4-8(12,13)7(10)11/h1-2,7H,3-4H2.
What are the key properties of 3-chloro-6-(2,2,3,3-tetrafluoropropoxymethyl)pyridazine?
3-chloro-6-(2,2,3,3-tetrafluoropropoxymethyl)pyridazine has a molecular weight of 258.60 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(2,2,3,3-tetrafluoropropoxymethyl)pyridazine is sourced from PubChem (CID 104514160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).