(3-methoxypyrazin-2-yl)-[2-(trifluoromethyl)cyclohexyl]methanol

C13H17F3N2O2 — CID 105123908

IUPAC(3-methoxypyrazin-2-yl)-[2-(trifluoromethyl)cyclohexyl]methanol
SMILESCOc1nccnc1C(O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H17F3N2O2/c1-20-12-10(17-6-7-18-12)11(19)8-4-2-3-5-9(8)13(14,15)16/h6-9,11,19H,2-5H2,1H3
InChIKeySUADSELTUPCJML-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.89
Rot. Bonds3

About (3-methoxypyrazin-2-yl)-[2-(trifluoromethyl)cyclohexyl]methanol

(3-methoxypyrazin-2-yl)-[2-(trifluoromethyl)cyclohexyl]methanol (PubChem CID 105123908) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.28 g/mol. Its IUPAC name is (3-methoxypyrazin-2-yl)-[2-(trifluoromethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name(3-methoxypyrazin-2-yl)-[2-(trifluoromethyl)cyclohexyl]methanol
PubChem CID105123908
Molecular FormulaC13H17F3N2O2
Molecular Weight290.28 g/mol
Exact Mass290.12
IUPAC Name(3-methoxypyrazin-2-yl)-[2-(trifluoromethyl)cyclohexyl]methanol
SMILESCOc1nccnc1C(O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H17F3N2O2/c1-20-12-10(17-6-7-18-12)11(19)8-4-2-3-5-9(8)13(14,15)16/h6-9,11,19H,2-5H2,1H3
InChIKeySUADSELTUPCJML-UHFFFAOYSA-N
XLogP2.89
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-Hydroxy-2-methylpropyl)-3-methoxypyrazine
CID 587218
1-(5-Fluoro-3-methoxypyrazin-2-yl)hexan-1-ol
CID 11287622
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)-4,4,4-trifluorobutan-1-ol
CID 104368857
1-(3-Methoxypyrazin-2-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 104514610
1-(3-Methoxypyrazin-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 104514611
3,3,3-Trifluoro-1-(3-methoxypyrazin-2-yl)propan-1-ol
CID 104515084
4,4,4-Trifluoro-1-(3-methoxypyrazin-2-yl)butan-1-ol
CID 104515198

Frequently Asked Questions

What is the IUPAC name of (3-methoxypyrazin-2-yl)-[2-(trifluoromethyl)cyclohexyl]methanol?
The IUPAC name of (3-methoxypyrazin-2-yl)-[2-(trifluoromethyl)cyclohexyl]methanol (CID 105123908) is (3-methoxypyrazin-2-yl)-[2-(trifluoromethyl)cyclohexyl]methanol.
What is the SMILES notation for (3-methoxypyrazin-2-yl)-[2-(trifluoromethyl)cyclohexyl]methanol?
The canonical SMILES for (3-methoxypyrazin-2-yl)-[2-(trifluoromethyl)cyclohexyl]methanol is COc1nccnc1C(O)C1CCCCC1C(F)(F)F.
What is the InChIKey of (3-methoxypyrazin-2-yl)-[2-(trifluoromethyl)cyclohexyl]methanol?
The InChIKey is SUADSELTUPCJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-20-12-10(17-6-7-18-12)11(19)8-4-2-3-5-9(8)13(14,15)16/h6-9,11,19H,2-5H2,1H3.
What are the key properties of (3-methoxypyrazin-2-yl)-[2-(trifluoromethyl)cyclohexyl]methanol?
(3-methoxypyrazin-2-yl)-[2-(trifluoromethyl)cyclohexyl]methanol has a molecular weight of 290.28 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxypyrazin-2-yl)-[2-(trifluoromethyl)cyclohexyl]methanol is sourced from PubChem (CID 105123908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).