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

C14H20F3NO — CID 164559510

IUPACethane;4-ethyl-2-(oxolan-3-yl)-6-(trifluoromethyl)pyridine
SMILESCC.CCc1cc(C2CCOC2)nc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO.C2H6/c1-2-8-5-10(9-3-4-17-7-9)16-11(6-8)12(13,14)15;1-2/h5-6,9H,2-4,7H2,1H3;1-2H3
InChIKeyXUZHBBCHUVFGHS-UHFFFAOYSA-N
MW275.31 g/mol
LogP4.19
Rot. Bonds2

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

ethane;4-ethyl-2-(oxolan-3-yl)-6-(trifluoromethyl)pyridine (PubChem CID 164559510) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is ethane;4-ethyl-2-(oxolan-3-yl)-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Nameethane;4-ethyl-2-(oxolan-3-yl)-6-(trifluoromethyl)pyridine
PubChem CID164559510
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Nameethane;4-ethyl-2-(oxolan-3-yl)-6-(trifluoromethyl)pyridine
SMILESCC.CCc1cc(C2CCOC2)nc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO.C2H6/c1-2-8-5-10(9-3-4-17-7-9)16-11(6-8)12(13,14)15;1-2/h5-6,9H,2-4,7H2,1H3;1-2H3
InChIKeyXUZHBBCHUVFGHS-UHFFFAOYSA-N
XLogP4.19
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-2-(oxolan-3-yl)-6-(trifluoromethyl)pyridine?
The IUPAC name of ethane;4-ethyl-2-(oxolan-3-yl)-6-(trifluoromethyl)pyridine (CID 164559510) is ethane;4-ethyl-2-(oxolan-3-yl)-6-(trifluoromethyl)pyridine.
What is the SMILES notation for ethane;4-ethyl-2-(oxolan-3-yl)-6-(trifluoromethyl)pyridine?
The canonical SMILES for ethane;4-ethyl-2-(oxolan-3-yl)-6-(trifluoromethyl)pyridine is CC.CCc1cc(C2CCOC2)nc(C(F)(F)F)c1.
What is the InChIKey of ethane;4-ethyl-2-(oxolan-3-yl)-6-(trifluoromethyl)pyridine?
The InChIKey is XUZHBBCHUVFGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO.C2H6/c1-2-8-5-10(9-3-4-17-7-9)16-11(6-8)12(13,14)15;1-2/h5-6,9H,2-4,7H2,1H3;1-2H3.
What are the key properties of ethane;4-ethyl-2-(oxolan-3-yl)-6-(trifluoromethyl)pyridine?
ethane;4-ethyl-2-(oxolan-3-yl)-6-(trifluoromethyl)pyridine has a molecular weight of 275.31 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-2-(oxolan-3-yl)-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 164559510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).