ethane;2-methyl-6-(trifluoromethyl)pyridine

C11H18F3N — CID 144746626

IUPACethane;2-methyl-6-(trifluoromethyl)pyridine
SMILESCC.CC.Cc1cccc(C(F)(F)F)n1
InChIInChI=1S/C7H6F3N.2C2H6/c1-5-3-2-4-6(11-5)7(8,9)10;2*1-2/h2-4H,1H3;2*1-2H3
InChIKeyXDMWSUUMSOOIBK-UHFFFAOYSA-N
MW221.27 g/mol
LogP4.46
Rot. Bonds

About ethane;2-methyl-6-(trifluoromethyl)pyridine

ethane;2-methyl-6-(trifluoromethyl)pyridine (PubChem CID 144746626) has the molecular formula C11H18F3N and a molecular weight of 221.27 g/mol. Its IUPAC name is ethane;2-methyl-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Nameethane;2-methyl-6-(trifluoromethyl)pyridine
PubChem CID144746626
Molecular FormulaC11H18F3N
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC Nameethane;2-methyl-6-(trifluoromethyl)pyridine
SMILESCC.CC.Cc1cccc(C(F)(F)F)n1
InChIInChI=1S/C7H6F3N.2C2H6/c1-5-3-2-4-6(11-5)7(8,9)10;2*1-2/h2-4H,1H3;2*1-2H3
InChIKeyXDMWSUUMSOOIBK-UHFFFAOYSA-N
XLogP4.46
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-6-(trifluoromethyl)pyridine?
The IUPAC name of ethane;2-methyl-6-(trifluoromethyl)pyridine (CID 144746626) is ethane;2-methyl-6-(trifluoromethyl)pyridine.
What is the SMILES notation for ethane;2-methyl-6-(trifluoromethyl)pyridine?
The canonical SMILES for ethane;2-methyl-6-(trifluoromethyl)pyridine is CC.CC.Cc1cccc(C(F)(F)F)n1.
What is the InChIKey of ethane;2-methyl-6-(trifluoromethyl)pyridine?
The InChIKey is XDMWSUUMSOOIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N.2C2H6/c1-5-3-2-4-6(11-5)7(8,9)10;2*1-2/h2-4H,1H3;2*1-2H3.
What are the key properties of ethane;2-methyl-6-(trifluoromethyl)pyridine?
ethane;2-methyl-6-(trifluoromethyl)pyridine has a molecular weight of 221.27 g/mol, XLogP of 4.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 144746626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).