3-(trifluoromethyl)-1,6-dihydropyridazine

C5H5F3N2 — CID 20580534

IUPAC3-(trifluoromethyl)-1,6-dihydropyridazine
SMILESFC(F)(F)C1=NNCC=C1
InChIInChI=1S/C5H5F3N2/c6-5(7,8)4-2-1-3-9-10-4/h1-2,9H,3H2
InChIKeyAQOVOYXAWBLKGA-UHFFFAOYSA-N
MW150.10 g/mol
LogP1.06
Rot. Bonds

About 3-(trifluoromethyl)-1,6-dihydropyridazine

3-(trifluoromethyl)-1,6-dihydropyridazine (PubChem CID 20580534) has the molecular formula C5H5F3N2 and a molecular weight of 150.10 g/mol. Its IUPAC name is 3-(trifluoromethyl)-1,6-dihydropyridazine.

Molecular Properties

Compound Name3-(trifluoromethyl)-1,6-dihydropyridazine
PubChem CID20580534
Molecular FormulaC5H5F3N2
Molecular Weight150.10 g/mol
Exact Mass150.04
IUPAC Name3-(trifluoromethyl)-1,6-dihydropyridazine
SMILESFC(F)(F)C1=NNCC=C1
InChIInChI=1S/C5H5F3N2/c6-5(7,8)4-2-1-3-9-10-4/h1-2,9H,3H2
InChIKeyAQOVOYXAWBLKGA-UHFFFAOYSA-N
XLogP1.06
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.10
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-1,6-dihydropyridazine?
The IUPAC name of 3-(trifluoromethyl)-1,6-dihydropyridazine (CID 20580534) is 3-(trifluoromethyl)-1,6-dihydropyridazine.
What is the SMILES notation for 3-(trifluoromethyl)-1,6-dihydropyridazine?
The canonical SMILES for 3-(trifluoromethyl)-1,6-dihydropyridazine is FC(F)(F)C1=NNCC=C1.
What is the InChIKey of 3-(trifluoromethyl)-1,6-dihydropyridazine?
The InChIKey is AQOVOYXAWBLKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2/c6-5(7,8)4-2-1-3-9-10-4/h1-2,9H,3H2.
What are the key properties of 3-(trifluoromethyl)-1,6-dihydropyridazine?
3-(trifluoromethyl)-1,6-dihydropyridazine has a molecular weight of 150.10 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-1,6-dihydropyridazine is sourced from PubChem (CID 20580534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).