ethane;2-methyl-6-(trifluoromethyl)pyridine;2-propyloxane-3,4-diol

C17H28F3NO3 — CID 178007843

IUPACethane;2-methyl-6-(trifluoromethyl)pyridine;2-propyloxane-3,4-diol
SMILESCC.CCCC1OCCC(O)C1O.Cc1cccc(C(F)(F)F)n1
InChIInChI=1S/C8H16O3.C7H6F3N.C2H6/c1-2-3-7-8(10)6(9)4-5-11-7;1-5-3-2-4-6(11-5)7(8,9)10;1-2/h6-10H,2-5H2,1H3;2-4H,1H3;1-2H3
InChIKeyXIVAHUNLJMYBCP-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.73
Rot. Bonds2

About ethane;2-methyl-6-(trifluoromethyl)pyridine;2-propyloxane-3,4-diol

ethane;2-methyl-6-(trifluoromethyl)pyridine;2-propyloxane-3,4-diol (PubChem CID 178007843) has the molecular formula C17H28F3NO3 and a molecular weight of 351.41 g/mol. Its IUPAC name is ethane;2-methyl-6-(trifluoromethyl)pyridine;2-propyloxane-3,4-diol.

Molecular Properties

Compound Nameethane;2-methyl-6-(trifluoromethyl)pyridine;2-propyloxane-3,4-diol
PubChem CID178007843
Molecular FormulaC17H28F3NO3
Molecular Weight351.41 g/mol
Exact Mass351.20
IUPAC Nameethane;2-methyl-6-(trifluoromethyl)pyridine;2-propyloxane-3,4-diol
SMILESCC.CCCC1OCCC(O)C1O.Cc1cccc(C(F)(F)F)n1
InChIInChI=1S/C8H16O3.C7H6F3N.C2H6/c1-2-3-7-8(10)6(9)4-5-11-7;1-5-3-2-4-6(11-5)7(8,9)10;1-2/h6-10H,2-5H2,1H3;2-4H,1H3;1-2H3
InChIKeyXIVAHUNLJMYBCP-UHFFFAOYSA-N
XLogP3.73
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ethanol, 2-[3-(6-methyl-2-pyridinyl)propoxy]-
CID 116851
4-[6-(Trifluoromethyl)-2-pyridinyl]butan-2-ol
CID 176437246
4-Fluoro-6-[6-(trifluoromethyl)-2-pyridinyl]hexan-1-ol
CID 177851570
2-Methyl-6-(3-hydroxypentyl)pyridine
CID 572290
2-Methyl-6-(3-hydroxynonyl)pyridine
CID 572387
Pyridine-2,6-dipropanol
CID 40787531
6-Fluoro-2-pyridinepropanol
CID 10034833
2-[6-(Trifluoromethyl)-2-pyridinyl]ethanol
CID 55266080
2,2-Difluoro-2-(6-methyl-pyridin-2-yl)-ethanol
CID 68827999
3-[6-(Trifluoromethyl)-2-pyridinyl]propan-1-ol
CID 69966825
2-[2-(6-Fluoro-2-pyridinyl)ethynyl]oxolane-3,4-diol
CID 142674428
2-[6-(Difluoromethyl)-2-pyridinyl]ethanol
CID 156351930

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-6-(trifluoromethyl)pyridine;2-propyloxane-3,4-diol?
The IUPAC name of ethane;2-methyl-6-(trifluoromethyl)pyridine;2-propyloxane-3,4-diol (CID 178007843) is ethane;2-methyl-6-(trifluoromethyl)pyridine;2-propyloxane-3,4-diol.
What is the SMILES notation for ethane;2-methyl-6-(trifluoromethyl)pyridine;2-propyloxane-3,4-diol?
The canonical SMILES for ethane;2-methyl-6-(trifluoromethyl)pyridine;2-propyloxane-3,4-diol is CC.CCCC1OCCC(O)C1O.Cc1cccc(C(F)(F)F)n1.
What is the InChIKey of ethane;2-methyl-6-(trifluoromethyl)pyridine;2-propyloxane-3,4-diol?
The InChIKey is XIVAHUNLJMYBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3.C7H6F3N.C2H6/c1-2-3-7-8(10)6(9)4-5-11-7;1-5-3-2-4-6(11-5)7(8,9)10;1-2/h6-10H,2-5H2,1H3;2-4H,1H3;1-2H3.
What are the key properties of ethane;2-methyl-6-(trifluoromethyl)pyridine;2-propyloxane-3,4-diol?
ethane;2-methyl-6-(trifluoromethyl)pyridine;2-propyloxane-3,4-diol has a molecular weight of 351.41 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-6-(trifluoromethyl)pyridine;2-propyloxane-3,4-diol is sourced from PubChem (CID 178007843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).