3,4-difluoro-5-(trifluoromethyl)pyridazine

C5HF5N2 — CID 141230574

IUPAC3,4-difluoro-5-(trifluoromethyl)pyridazine
SMILESFc1nncc(C(F)(F)F)c1F
InChIInChI=1S/C5HF5N2/c6-3-2(5(8,9)10)1-11-12-4(3)7/h1H
InChIKeyQHJXPAZXWUASNE-UHFFFAOYSA-N
MW184.07 g/mol
LogP1.77
Rot. Bonds

About 3,4-difluoro-5-(trifluoromethyl)pyridazine

3,4-difluoro-5-(trifluoromethyl)pyridazine (PubChem CID 141230574) has the molecular formula C5HF5N2 and a molecular weight of 184.07 g/mol. Its IUPAC name is 3,4-difluoro-5-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name3,4-difluoro-5-(trifluoromethyl)pyridazine
PubChem CID141230574
Molecular FormulaC5HF5N2
Molecular Weight184.07 g/mol
Exact Mass184.01
IUPAC Name3,4-difluoro-5-(trifluoromethyl)pyridazine
SMILESFc1nncc(C(F)(F)F)c1F
InChIInChI=1S/C5HF5N2/c6-3-2(5(8,9)10)1-11-12-4(3)7/h1H
InChIKeyQHJXPAZXWUASNE-UHFFFAOYSA-N
XLogP1.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.07
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-1,3,5-tris(trifluoromethyl)benzene
CID 12503713
4-fluoro-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 130766545
6-fluoro-5-(trifluoromethyl)pyridine-3-thiol
CID 130768067
ethane;3-methyl-5-(trifluoromethyl)pyridazine
CID 143735525
5-(trifluoromethyl)pyridazine-4-carboxylic acid
CID 69242850
6-fluoro-5-(trifluoromethyl)pyridin-3-amine
CID 130775197
[5-(trifluoromethyl)pyridazin-4-yl]urea
CID 144749752
2-bromo-3-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)pyridine
CID 130109576
4-fluoro-3-nitro-5-(trifluoromethyl)pyridine
CID 130927202
1,7-dimethyl-5-(trifluoromethyl)phthalazine;ethane
CID 177201146
4-fluoro-3,5-bis[2-(trifluoromethyl)phenyl]pyridine
CID 133089510
4-chloro-8-(trifluoromethyl)cinnoline
CID 68581409

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-5-(trifluoromethyl)pyridazine?
The IUPAC name of 3,4-difluoro-5-(trifluoromethyl)pyridazine (CID 141230574) is 3,4-difluoro-5-(trifluoromethyl)pyridazine.
What is the SMILES notation for 3,4-difluoro-5-(trifluoromethyl)pyridazine?
The canonical SMILES for 3,4-difluoro-5-(trifluoromethyl)pyridazine is Fc1nncc(C(F)(F)F)c1F.
What is the InChIKey of 3,4-difluoro-5-(trifluoromethyl)pyridazine?
The InChIKey is QHJXPAZXWUASNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HF5N2/c6-3-2(5(8,9)10)1-11-12-4(3)7/h1H.
What are the key properties of 3,4-difluoro-5-(trifluoromethyl)pyridazine?
3,4-difluoro-5-(trifluoromethyl)pyridazine has a molecular weight of 184.07 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-5-(trifluoromethyl)pyridazine is sourced from PubChem (CID 141230574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).