ethane;3-methyl-5-(trifluoromethyl)pyridazine

C8H11F3N2 — CID 143735525

IUPACethane;3-methyl-5-(trifluoromethyl)pyridazine
SMILESCC.Cc1cc(C(F)(F)F)cnn1
InChIInChI=1S/C6H5F3N2.C2H6/c1-4-2-5(3-10-11-4)6(7,8)9;1-2/h2-3H,1H3;1-2H3
InChIKeyYNJABYTUBAVPCG-UHFFFAOYSA-N
MW192.18 g/mol
LogP2.83
Rot. Bonds

About ethane;3-methyl-5-(trifluoromethyl)pyridazine

ethane;3-methyl-5-(trifluoromethyl)pyridazine (PubChem CID 143735525) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is ethane;3-methyl-5-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Nameethane;3-methyl-5-(trifluoromethyl)pyridazine
PubChem CID143735525
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC Nameethane;3-methyl-5-(trifluoromethyl)pyridazine
SMILESCC.Cc1cc(C(F)(F)F)cnn1
InChIInChI=1S/C6H5F3N2.C2H6/c1-4-2-5(3-10-11-4)6(7,8)9;1-2/h2-3H,1H3;1-2H3
InChIKeyYNJABYTUBAVPCG-UHFFFAOYSA-N
XLogP2.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-5-(trifluoromethyl)pyridazin-3-amine
CID 133062497
1-[5-(trifluoromethyl)pyridazin-3-yl]ethanethiol
CID 163524581
3,6-dimethyl-4-(trifluoromethyl)pyridazine;ethane
CID 164557661
2-methyl-6-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-(trifluoromethyl)pyridine
CID 132934758
3-methyl-5-(trifluoromethyl)pyridine
CID 143745835
3-(4-tert-butylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine
CID 133059610
ethane;3-ethyl-6-methyl-4-(trifluoromethyl)pyridazine
CID 165399562
3-tridecan-7-yl-5-(trifluoromethyl)pyridazine
CID 146320146
1,3-dimethyl-5-(trifluoromethyl)benzene;ethane
CID 143497301
5-(trifluoromethyl)pyridine-3-thiolate
CID 165348790
3-iodo-2-methyl-5-(trifluoromethyl)pyridine
CID 84715472
N,N,6-trimethylpyridazin-4-amine
CID 90382236

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-5-(trifluoromethyl)pyridazine?
The IUPAC name of ethane;3-methyl-5-(trifluoromethyl)pyridazine (CID 143735525) is ethane;3-methyl-5-(trifluoromethyl)pyridazine.
What is the SMILES notation for ethane;3-methyl-5-(trifluoromethyl)pyridazine?
The canonical SMILES for ethane;3-methyl-5-(trifluoromethyl)pyridazine is CC.Cc1cc(C(F)(F)F)cnn1.
What is the InChIKey of ethane;3-methyl-5-(trifluoromethyl)pyridazine?
The InChIKey is YNJABYTUBAVPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2.C2H6/c1-4-2-5(3-10-11-4)6(7,8)9;1-2/h2-3H,1H3;1-2H3.
What are the key properties of ethane;3-methyl-5-(trifluoromethyl)pyridazine?
ethane;3-methyl-5-(trifluoromethyl)pyridazine has a molecular weight of 192.18 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-5-(trifluoromethyl)pyridazine is sourced from PubChem (CID 143735525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).