3-[3-(trifluoromethyl)phenyl]pyridazine

C11H7F3N2 — CID 10656742

IUPAC3-[3-(trifluoromethyl)phenyl]pyridazine
SMILESFC(F)(F)c1cccc(-c2cccnn2)c1
InChIInChI=1S/C11H7F3N2/c12-11(13,14)9-4-1-3-8(7-9)10-5-2-6-15-16-10/h1-7H
InChIKeyFSPPQXYOSZEDSZ-UHFFFAOYSA-N
MW224.19 g/mol
LogP3.16
Rot. Bonds1

About 3-[3-(trifluoromethyl)phenyl]pyridazine

3-[3-(trifluoromethyl)phenyl]pyridazine (PubChem CID 10656742) has the molecular formula C11H7F3N2 and a molecular weight of 224.19 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)phenyl]pyridazine.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)phenyl]pyridazine
PubChem CID10656742
Molecular FormulaC11H7F3N2
Molecular Weight224.19 g/mol
Exact Mass224.06
IUPAC Name3-[3-(trifluoromethyl)phenyl]pyridazine
SMILESFC(F)(F)c1cccc(-c2cccnn2)c1
InChIInChI=1S/C11H7F3N2/c12-11(13,14)9-4-1-3-8(7-9)10-5-2-6-15-16-10/h1-7H
InChIKeyFSPPQXYOSZEDSZ-UHFFFAOYSA-N
XLogP3.16
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)phenyl]pyridazine?
The IUPAC name of 3-[3-(trifluoromethyl)phenyl]pyridazine (CID 10656742) is 3-[3-(trifluoromethyl)phenyl]pyridazine.
What is the SMILES notation for 3-[3-(trifluoromethyl)phenyl]pyridazine?
The canonical SMILES for 3-[3-(trifluoromethyl)phenyl]pyridazine is FC(F)(F)c1cccc(-c2cccnn2)c1.
What is the InChIKey of 3-[3-(trifluoromethyl)phenyl]pyridazine?
The InChIKey is FSPPQXYOSZEDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2/c12-11(13,14)9-4-1-3-8(7-9)10-5-2-6-15-16-10/h1-7H.
What are the key properties of 3-[3-(trifluoromethyl)phenyl]pyridazine?
3-[3-(trifluoromethyl)phenyl]pyridazine has a molecular weight of 224.19 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)phenyl]pyridazine is sourced from PubChem (CID 10656742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).