ethane;4-methyl-2-(oxolan-3-yl)-6-(trifluoromethyl)pyridine

C15H24F3NO — CID 168880297

IUPACethane;4-methyl-2-(oxolan-3-yl)-6-(trifluoromethyl)pyridine
SMILESCC.CC.Cc1cc(C2CCOC2)nc(C(F)(F)F)c1
InChIInChI=1S/C11H12F3NO.2C2H6/c1-7-4-9(8-2-3-16-6-8)15-10(5-7)11(12,13)14;2*1-2/h4-5,8H,2-3,6H2,1H3;2*1-2H3
InChIKeyBUKFSGKALRIGHL-UHFFFAOYSA-N
MW291.36 g/mol
LogP4.97
Rot. Bonds1

About ethane;4-methyl-2-(oxolan-3-yl)-6-(trifluoromethyl)pyridine

ethane;4-methyl-2-(oxolan-3-yl)-6-(trifluoromethyl)pyridine (PubChem CID 168880297) has the molecular formula C15H24F3NO and a molecular weight of 291.36 g/mol. Its IUPAC name is ethane;4-methyl-2-(oxolan-3-yl)-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Nameethane;4-methyl-2-(oxolan-3-yl)-6-(trifluoromethyl)pyridine
PubChem CID168880297
Molecular FormulaC15H24F3NO
Molecular Weight291.36 g/mol
Exact Mass291.18
IUPAC Nameethane;4-methyl-2-(oxolan-3-yl)-6-(trifluoromethyl)pyridine
SMILESCC.CC.Cc1cc(C2CCOC2)nc(C(F)(F)F)c1
InChIInChI=1S/C11H12F3NO.2C2H6/c1-7-4-9(8-2-3-16-6-8)15-10(5-7)11(12,13)14;2*1-2/h4-5,8H,2-3,6H2,1H3;2*1-2H3
InChIKeyBUKFSGKALRIGHL-UHFFFAOYSA-N
XLogP4.97
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-2-(oxolan-3-yl)-6-(trifluoromethyl)pyridine?
The IUPAC name of ethane;4-methyl-2-(oxolan-3-yl)-6-(trifluoromethyl)pyridine (CID 168880297) is ethane;4-methyl-2-(oxolan-3-yl)-6-(trifluoromethyl)pyridine.
What is the SMILES notation for ethane;4-methyl-2-(oxolan-3-yl)-6-(trifluoromethyl)pyridine?
The canonical SMILES for ethane;4-methyl-2-(oxolan-3-yl)-6-(trifluoromethyl)pyridine is CC.CC.Cc1cc(C2CCOC2)nc(C(F)(F)F)c1.
What is the InChIKey of ethane;4-methyl-2-(oxolan-3-yl)-6-(trifluoromethyl)pyridine?
The InChIKey is BUKFSGKALRIGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO.2C2H6/c1-7-4-9(8-2-3-16-6-8)15-10(5-7)11(12,13)14;2*1-2/h4-5,8H,2-3,6H2,1H3;2*1-2H3.
What are the key properties of ethane;4-methyl-2-(oxolan-3-yl)-6-(trifluoromethyl)pyridine?
ethane;4-methyl-2-(oxolan-3-yl)-6-(trifluoromethyl)pyridine has a molecular weight of 291.36 g/mol, XLogP of 4.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-2-(oxolan-3-yl)-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 168880297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).