2-(3,5-dimethoxypyrazin-2-yl)-6,6,6-trifluorohexan-2-ol

C12H17F3N2O3 — CID 116535906

IUPAC2-(3,5-dimethoxypyrazin-2-yl)-6,6,6-trifluorohexan-2-ol
SMILESCOc1cnc(C(C)(O)CCCC(F)(F)F)c(OC)n1
InChIInChI=1S/C12H17F3N2O3/c1-11(18,5-4-6-12(13,14)15)9-10(20-3)17-8(19-2)7-16-9/h7,18H,4-6H2,1-3H3
InChIKeyVEEJAIXVIPNIIX-UHFFFAOYSA-N
MW294.27 g/mol
LogP2.43
Rot. Bonds6

About 2-(3,5-dimethoxypyrazin-2-yl)-6,6,6-trifluorohexan-2-ol

2-(3,5-dimethoxypyrazin-2-yl)-6,6,6-trifluorohexan-2-ol (PubChem CID 116535906) has the molecular formula C12H17F3N2O3 and a molecular weight of 294.27 g/mol. Its IUPAC name is 2-(3,5-dimethoxypyrazin-2-yl)-6,6,6-trifluorohexan-2-ol.

Molecular Properties

Compound Name2-(3,5-dimethoxypyrazin-2-yl)-6,6,6-trifluorohexan-2-ol
PubChem CID116535906
Molecular FormulaC12H17F3N2O3
Molecular Weight294.27 g/mol
Exact Mass294.12
IUPAC Name2-(3,5-dimethoxypyrazin-2-yl)-6,6,6-trifluorohexan-2-ol
SMILESCOc1cnc(C(C)(O)CCCC(F)(F)F)c(OC)n1
InChIInChI=1S/C12H17F3N2O3/c1-11(18,5-4-6-12(13,14)15)9-10(20-3)17-8(19-2)7-16-9/h7,18H,4-6H2,1-3H3
InChIKeyVEEJAIXVIPNIIX-UHFFFAOYSA-N
XLogP2.43
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3,5-dimethoxypyrazin-2-yl)-6,6,6-trifluorohexan-2-ol with MolForge

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Related Compounds

2-(1-Hydroxy-2-methylpropyl)-3-methoxypyrazine
CID 587218
Pyrazine, 2-methoxy-3-(2-methylpentyl)
CID 44327555
2-(1-Hydroxy-1-methylpropyl)-3-methoxypyrazine
CID 101731875
1-(5-Fluoro-3-methoxypyrazin-2-yl)hexan-1-ol
CID 11287622
1-(3,5-Dimethoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 103147418
3-(2,2-Difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)propan-1-ol
CID 103147696
1-(3,5-Dimethoxypyrazin-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
CID 103312622
3,3,3-Trifluoro-1-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)propan-1-ol
CID 103312623
1-(3,5-Dimethoxypyrazin-2-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 104368409
1-(3,5-Dimethoxypyrazin-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 104368410
1-(3,5-Dimethoxypyrazin-2-yl)-3,3,3-trifluoropropan-1-ol
CID 104368760
1-(3,5-Dimethoxypyrazin-2-yl)-2,2,2-trifluoroethanol
CID 104368786

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxypyrazin-2-yl)-6,6,6-trifluorohexan-2-ol?
The IUPAC name of 2-(3,5-dimethoxypyrazin-2-yl)-6,6,6-trifluorohexan-2-ol (CID 116535906) is 2-(3,5-dimethoxypyrazin-2-yl)-6,6,6-trifluorohexan-2-ol.
What is the SMILES notation for 2-(3,5-dimethoxypyrazin-2-yl)-6,6,6-trifluorohexan-2-ol?
The canonical SMILES for 2-(3,5-dimethoxypyrazin-2-yl)-6,6,6-trifluorohexan-2-ol is COc1cnc(C(C)(O)CCCC(F)(F)F)c(OC)n1.
What is the InChIKey of 2-(3,5-dimethoxypyrazin-2-yl)-6,6,6-trifluorohexan-2-ol?
The InChIKey is VEEJAIXVIPNIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O3/c1-11(18,5-4-6-12(13,14)15)9-10(20-3)17-8(19-2)7-16-9/h7,18H,4-6H2,1-3H3.
What are the key properties of 2-(3,5-dimethoxypyrazin-2-yl)-6,6,6-trifluorohexan-2-ol?
2-(3,5-dimethoxypyrazin-2-yl)-6,6,6-trifluorohexan-2-ol has a molecular weight of 294.27 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxypyrazin-2-yl)-6,6,6-trifluorohexan-2-ol is sourced from PubChem (CID 116535906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).