2-(1,1-difluoro-2-methylpropyl)-6-methylpyrazine;oxane-3,4-diol

C14H22F2N2O3 — CID 178008050

IUPAC2-(1,1-difluoro-2-methylpropyl)-6-methylpyrazine;oxane-3,4-diol
SMILESCc1cncc(C(F)(F)C(C)C)n1.OC1CCOCC1O
InChIInChI=1S/C9H12F2N2.C5H10O3/c1-6(2)9(10,11)8-5-12-4-7(3)13-8;6-4-1-2-8-3-5(4)7/h4-6H,1-3H3;4-7H,1-3H2
InChIKeyGWVNNXRTEVNPFJ-UHFFFAOYSA-N
MW304.34 g/mol
LogP1.66
Rot. Bonds2

About 2-(1,1-difluoro-2-methylpropyl)-6-methylpyrazine;oxane-3,4-diol

2-(1,1-difluoro-2-methylpropyl)-6-methylpyrazine;oxane-3,4-diol (PubChem CID 178008050) has the molecular formula C14H22F2N2O3 and a molecular weight of 304.34 g/mol. Its IUPAC name is 2-(1,1-difluoro-2-methylpropyl)-6-methylpyrazine;oxane-3,4-diol.

Molecular Properties

Compound Name2-(1,1-difluoro-2-methylpropyl)-6-methylpyrazine;oxane-3,4-diol
PubChem CID178008050
Molecular FormulaC14H22F2N2O3
Molecular Weight304.34 g/mol
Exact Mass304.16
IUPAC Name2-(1,1-difluoro-2-methylpropyl)-6-methylpyrazine;oxane-3,4-diol
SMILESCc1cncc(C(F)(F)C(C)C)n1.OC1CCOCC1O
InChIInChI=1S/C9H12F2N2.C5H10O3/c1-6(2)9(10,11)8-5-12-4-7(3)13-8;6-4-1-2-8-3-5(4)7/h4-6H,1-3H3;4-7H,1-3H2
InChIKeyGWVNNXRTEVNPFJ-UHFFFAOYSA-N
XLogP1.66
TPSA75.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
2-Methyl-6-(trifluoromethyl)pyrazine;2-propan-2-yloxane-3,4-diol
CID 171557584
(2R,3R,4R)-2-(hydroxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol
CID 171557894
(2R,3R,4R,5S)-2-(2-methylpropyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol
CID 171558885
2-(2-Methylpropyl)oxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine
CID 178007628
(2R,3R,4R)-2-ethyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol
CID 178007863
(2R,3R,4R)-2-(2-methylpropyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol
CID 178008144
6-(1,1-Difluoro-2-methylpropyl)pyrazin-2-amine;oxane-3,4-diol
CID 178008226
2-Methyl-6-(trifluoromethyl)pyrazine;2-(propan-2-yloxymethyl)oxane-3,4-diol
CID 178008275
Ethane;2-methyl-6-(trifluoromethyl)pyrazine;6-propan-2-yloxane-3,4-diol
CID 178008463
Ethane;6-propan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol
CID 178008573

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoro-2-methylpropyl)-6-methylpyrazine;oxane-3,4-diol?
The IUPAC name of 2-(1,1-difluoro-2-methylpropyl)-6-methylpyrazine;oxane-3,4-diol (CID 178008050) is 2-(1,1-difluoro-2-methylpropyl)-6-methylpyrazine;oxane-3,4-diol.
What is the SMILES notation for 2-(1,1-difluoro-2-methylpropyl)-6-methylpyrazine;oxane-3,4-diol?
The canonical SMILES for 2-(1,1-difluoro-2-methylpropyl)-6-methylpyrazine;oxane-3,4-diol is Cc1cncc(C(F)(F)C(C)C)n1.OC1CCOCC1O.
What is the InChIKey of 2-(1,1-difluoro-2-methylpropyl)-6-methylpyrazine;oxane-3,4-diol?
The InChIKey is GWVNNXRTEVNPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2.C5H10O3/c1-6(2)9(10,11)8-5-12-4-7(3)13-8;6-4-1-2-8-3-5(4)7/h4-6H,1-3H3;4-7H,1-3H2.
What are the key properties of 2-(1,1-difluoro-2-methylpropyl)-6-methylpyrazine;oxane-3,4-diol?
2-(1,1-difluoro-2-methylpropyl)-6-methylpyrazine;oxane-3,4-diol has a molecular weight of 304.34 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoro-2-methylpropyl)-6-methylpyrazine;oxane-3,4-diol is sourced from PubChem (CID 178008050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).