ethane;3-(3-methylphenyl)-6-(trifluoromethyl)pyridazine

C14H15F3N2 — CID 144595447

IUPACethane;3-(3-methylphenyl)-6-(trifluoromethyl)pyridazine
SMILESCC.Cc1cccc(-c2ccc(C(F)(F)F)nn2)c1
InChIInChI=1S/C12H9F3N2.C2H6/c1-8-3-2-4-9(7-8)10-5-6-11(17-16-10)12(13,14)15;1-2/h2-7H,1H3;1-2H3
InChIKeyLNYZHXVYSWSQED-UHFFFAOYSA-N
MW268.28 g/mol
LogP4.50
Rot. Bonds1

About ethane;3-(3-methylphenyl)-6-(trifluoromethyl)pyridazine

ethane;3-(3-methylphenyl)-6-(trifluoromethyl)pyridazine (PubChem CID 144595447) has the molecular formula C14H15F3N2 and a molecular weight of 268.28 g/mol. Its IUPAC name is ethane;3-(3-methylphenyl)-6-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Nameethane;3-(3-methylphenyl)-6-(trifluoromethyl)pyridazine
PubChem CID144595447
Molecular FormulaC14H15F3N2
Molecular Weight268.28 g/mol
Exact Mass268.12
IUPAC Nameethane;3-(3-methylphenyl)-6-(trifluoromethyl)pyridazine
SMILESCC.Cc1cccc(-c2ccc(C(F)(F)F)nn2)c1
InChIInChI=1S/C12H9F3N2.C2H6/c1-8-3-2-4-9(7-8)10-5-6-11(17-16-10)12(13,14)15;1-2/h2-7H,1H3;1-2H3
InChIKeyLNYZHXVYSWSQED-UHFFFAOYSA-N
XLogP4.50
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-bis(3-methylphenyl)-4-(trifluoromethyl)pyridine
CID 163288516
4-(3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 91926916
4-(3-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyridine
CID 155775338
N'-methyl-N'-[6-(3-methylphenyl)pyridazin-3-yl]ethane-1,2-diamine
CID 116973263
N,N-diethyl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
CID 71528502
4-(3-methylphenyl)thiadiazole
CID 59767702
ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848
3-chloro-4-methyl-6-(3-methylphenyl)pyridazine
CID 14450223
4-[5-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]pyridine
CID 54002940
3-(3-methylphenyl)-5-(trifluoromethyl)pyridine
CID 59578611
trimethyl-[6-(3-methylphenyl)-3-pyridinyl]silane
CID 166573501
N-ethyl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
CID 62201435

Frequently Asked Questions

What is the IUPAC name of ethane;3-(3-methylphenyl)-6-(trifluoromethyl)pyridazine?
The IUPAC name of ethane;3-(3-methylphenyl)-6-(trifluoromethyl)pyridazine (CID 144595447) is ethane;3-(3-methylphenyl)-6-(trifluoromethyl)pyridazine.
What is the SMILES notation for ethane;3-(3-methylphenyl)-6-(trifluoromethyl)pyridazine?
The canonical SMILES for ethane;3-(3-methylphenyl)-6-(trifluoromethyl)pyridazine is CC.Cc1cccc(-c2ccc(C(F)(F)F)nn2)c1.
What is the InChIKey of ethane;3-(3-methylphenyl)-6-(trifluoromethyl)pyridazine?
The InChIKey is LNYZHXVYSWSQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2.C2H6/c1-8-3-2-4-9(7-8)10-5-6-11(17-16-10)12(13,14)15;1-2/h2-7H,1H3;1-2H3.
What are the key properties of ethane;3-(3-methylphenyl)-6-(trifluoromethyl)pyridazine?
ethane;3-(3-methylphenyl)-6-(trifluoromethyl)pyridazine has a molecular weight of 268.28 g/mol, XLogP of 4.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(3-methylphenyl)-6-(trifluoromethyl)pyridazine is sourced from PubChem (CID 144595447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).