ethane;2-methyl-6-(trifluoromethyl)pyrazine;6-propan-2-yloxane-3,4-diol

C16H27F3N2O3 — CID 178008463

IUPACethane;2-methyl-6-(trifluoromethyl)pyrazine;6-propan-2-yloxane-3,4-diol
SMILESCC.CC(C)C1CC(O)C(O)CO1.Cc1cncc(C(F)(F)F)n1
InChIInChI=1S/C8H16O3.C6H5F3N2.C2H6/c1-5(2)8-3-6(9)7(10)4-11-8;1-4-2-10-3-5(11-4)6(7,8)9;1-2/h5-10H,3-4H2,1-2H3;2-3H,1H3;1-2H3
InChIKeyKFPMDMQMQGECIZ-UHFFFAOYSA-N
MW352.40 g/mol
LogP2.98
Rot. Bonds1

About ethane;2-methyl-6-(trifluoromethyl)pyrazine;6-propan-2-yloxane-3,4-diol

ethane;2-methyl-6-(trifluoromethyl)pyrazine;6-propan-2-yloxane-3,4-diol (PubChem CID 178008463) has the molecular formula C16H27F3N2O3 and a molecular weight of 352.40 g/mol. Its IUPAC name is ethane;2-methyl-6-(trifluoromethyl)pyrazine;6-propan-2-yloxane-3,4-diol.

Molecular Properties

Compound Nameethane;2-methyl-6-(trifluoromethyl)pyrazine;6-propan-2-yloxane-3,4-diol
PubChem CID178008463
Molecular FormulaC16H27F3N2O3
Molecular Weight352.40 g/mol
Exact Mass352.20
IUPAC Nameethane;2-methyl-6-(trifluoromethyl)pyrazine;6-propan-2-yloxane-3,4-diol
SMILESCC.CC(C)C1CC(O)C(O)CO1.Cc1cncc(C(F)(F)F)n1
InChIInChI=1S/C8H16O3.C6H5F3N2.C2H6/c1-5(2)8-3-6(9)7(10)4-11-8;1-4-2-10-3-5(11-4)6(7,8)9;1-2/h5-10H,3-4H2,1-2H3;2-3H,1H3;1-2H3
InChIKeyKFPMDMQMQGECIZ-UHFFFAOYSA-N
XLogP2.98
TPSA75.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R,4R)-2-(propan-2-yloxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]iminomethyl]oxane-3,4-diol
CID 167448159
2-(Hydroxymethyl)oxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine
CID 171556621
Ethane;6-methyloxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine
CID 171557150
(2R,3R,4S,5S)-2-propan-2-yl-5-[6-(trifluoromethyl)pyrazin-2-yl]oxyoxane-3,4-diol
CID 171557582
2-Methyl-6-(trifluoromethyl)pyrazine;2-propan-2-yloxane-3,4-diol
CID 171557584
(2R,3R,4S,5S)-2-(2-methylpropyl)-5-[6-(trifluoromethyl)pyrazin-2-yl]oxyoxane-3,4-diol
CID 171558692
2-Methyl-6-(trifluoromethyl)pyrazine;2-propyloxane-3,4-diol
CID 171558839
(2R,3R,4R,5S)-2-(2-methylpropyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol
CID 171558885
2-Propan-2-yl-5-[6-(trifluoromethyl)pyrazin-2-yl]oxyoxane-3,4-diol
CID 176953258
2-Butan-2-yl-5-[6-(trifluoromethyl)pyrazin-2-yl]oxyoxane-3,4-diol
CID 176953573
2-Butan-2-yl-5-[6-(trifluoromethyl)pyrazin-2-yl]oxyoxane-3,4-diol;methanol
CID 177015202
Methanol;2-propan-2-yl-5-[6-(trifluoromethyl)pyrazin-2-yl]oxyoxane-3,4-diol
CID 177015264

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-6-(trifluoromethyl)pyrazine;6-propan-2-yloxane-3,4-diol?
The IUPAC name of ethane;2-methyl-6-(trifluoromethyl)pyrazine;6-propan-2-yloxane-3,4-diol (CID 178008463) is ethane;2-methyl-6-(trifluoromethyl)pyrazine;6-propan-2-yloxane-3,4-diol.
What is the SMILES notation for ethane;2-methyl-6-(trifluoromethyl)pyrazine;6-propan-2-yloxane-3,4-diol?
The canonical SMILES for ethane;2-methyl-6-(trifluoromethyl)pyrazine;6-propan-2-yloxane-3,4-diol is CC.CC(C)C1CC(O)C(O)CO1.Cc1cncc(C(F)(F)F)n1.
What is the InChIKey of ethane;2-methyl-6-(trifluoromethyl)pyrazine;6-propan-2-yloxane-3,4-diol?
The InChIKey is KFPMDMQMQGECIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3.C6H5F3N2.C2H6/c1-5(2)8-3-6(9)7(10)4-11-8;1-4-2-10-3-5(11-4)6(7,8)9;1-2/h5-10H,3-4H2,1-2H3;2-3H,1H3;1-2H3.
What are the key properties of ethane;2-methyl-6-(trifluoromethyl)pyrazine;6-propan-2-yloxane-3,4-diol?
ethane;2-methyl-6-(trifluoromethyl)pyrazine;6-propan-2-yloxane-3,4-diol has a molecular weight of 352.40 g/mol, XLogP of 2.98, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-6-(trifluoromethyl)pyrazine;6-propan-2-yloxane-3,4-diol is sourced from PubChem (CID 178008463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).