3-(4,4-difluoro-1-methylpyrrolidin-3-yl)oxy-5-(trifluoromethyl)pyridazine

C10H10F5N3O — CID 157035130

IUPAC3-(4,4-difluoro-1-methylpyrrolidin-3-yl)oxy-5-(trifluoromethyl)pyridazine
SMILESCN1CC(Oc2cc(C(F)(F)F)cnn2)C(F)(F)C1
InChIInChI=1S/C10H10F5N3O/c1-18-4-7(9(11,12)5-18)19-8-2-6(3-16-17-8)10(13,14)15/h2-3,7H,4-5H2,1H3
InChIKeyXLSBEEUGCSRCQF-UHFFFAOYSA-N
MW283.20 g/mol
LogP1.82
Rot. Bonds2

About 3-(4,4-difluoro-1-methylpyrrolidin-3-yl)oxy-5-(trifluoromethyl)pyridazine

3-(4,4-difluoro-1-methylpyrrolidin-3-yl)oxy-5-(trifluoromethyl)pyridazine (PubChem CID 157035130) has the molecular formula C10H10F5N3O and a molecular weight of 283.20 g/mol. Its IUPAC name is 3-(4,4-difluoro-1-methylpyrrolidin-3-yl)oxy-5-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name3-(4,4-difluoro-1-methylpyrrolidin-3-yl)oxy-5-(trifluoromethyl)pyridazine
PubChem CID157035130
Molecular FormulaC10H10F5N3O
Molecular Weight283.20 g/mol
Exact Mass283.07
IUPAC Name3-(4,4-difluoro-1-methylpyrrolidin-3-yl)oxy-5-(trifluoromethyl)pyridazine
SMILESCN1CC(Oc2cc(C(F)(F)F)cnn2)C(F)(F)C1
InChIInChI=1S/C10H10F5N3O/c1-18-4-7(9(11,12)5-18)19-8-2-6(3-16-17-8)10(13,14)15/h2-3,7H,4-5H2,1H3
InChIKeyXLSBEEUGCSRCQF-UHFFFAOYSA-N
XLogP1.82
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4,4-difluoro-1-methylpyrrolidin-3-yl)oxy-5-(trifluoromethyl)pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-difluoro-1-methylpyrrolidin-3-yl)oxy-5-(trifluoromethyl)pyridazine?
The IUPAC name of 3-(4,4-difluoro-1-methylpyrrolidin-3-yl)oxy-5-(trifluoromethyl)pyridazine (CID 157035130) is 3-(4,4-difluoro-1-methylpyrrolidin-3-yl)oxy-5-(trifluoromethyl)pyridazine.
What is the SMILES notation for 3-(4,4-difluoro-1-methylpyrrolidin-3-yl)oxy-5-(trifluoromethyl)pyridazine?
The canonical SMILES for 3-(4,4-difluoro-1-methylpyrrolidin-3-yl)oxy-5-(trifluoromethyl)pyridazine is CN1CC(Oc2cc(C(F)(F)F)cnn2)C(F)(F)C1.
What is the InChIKey of 3-(4,4-difluoro-1-methylpyrrolidin-3-yl)oxy-5-(trifluoromethyl)pyridazine?
The InChIKey is XLSBEEUGCSRCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F5N3O/c1-18-4-7(9(11,12)5-18)19-8-2-6(3-16-17-8)10(13,14)15/h2-3,7H,4-5H2,1H3.
What are the key properties of 3-(4,4-difluoro-1-methylpyrrolidin-3-yl)oxy-5-(trifluoromethyl)pyridazine?
3-(4,4-difluoro-1-methylpyrrolidin-3-yl)oxy-5-(trifluoromethyl)pyridazine has a molecular weight of 283.20 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-difluoro-1-methylpyrrolidin-3-yl)oxy-5-(trifluoromethyl)pyridazine is sourced from PubChem (CID 157035130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).