(4,4-difluorocyclohexyl)-(3,5-dimethoxypyrazin-2-yl)methanol

C13H18F2N2O3 — CID 105123424

IUPAC(4,4-difluorocyclohexyl)-(3,5-dimethoxypyrazin-2-yl)methanol
SMILESCOc1cnc(C(O)C2CCC(F)(F)CC2)c(OC)n1
InChIInChI=1S/C13H18F2N2O3/c1-19-9-7-16-10(12(17-9)20-2)11(18)8-3-5-13(14,15)6-4-8/h7-8,11,18H,3-6H2,1-2H3
InChIKeyKZIUQBTTZZUCOY-UHFFFAOYSA-N
MW288.29 g/mol
LogP2.35
Rot. Bonds4

About (4,4-difluorocyclohexyl)-(3,5-dimethoxypyrazin-2-yl)methanol

(4,4-difluorocyclohexyl)-(3,5-dimethoxypyrazin-2-yl)methanol (PubChem CID 105123424) has the molecular formula C13H18F2N2O3 and a molecular weight of 288.29 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-(3,5-dimethoxypyrazin-2-yl)methanol.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-(3,5-dimethoxypyrazin-2-yl)methanol
PubChem CID105123424
Molecular FormulaC13H18F2N2O3
Molecular Weight288.29 g/mol
Exact Mass288.13
IUPAC Name(4,4-difluorocyclohexyl)-(3,5-dimethoxypyrazin-2-yl)methanol
SMILESCOc1cnc(C(O)C2CCC(F)(F)CC2)c(OC)n1
InChIInChI=1S/C13H18F2N2O3/c1-19-9-7-16-10(12(17-9)20-2)11(18)8-3-5-13(14,15)6-4-8/h7-8,11,18H,3-6H2,1-2H3
InChIKeyKZIUQBTTZZUCOY-UHFFFAOYSA-N
XLogP2.35
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-Fluoro-5-methoxypyrazin-2-yl)hexan-1-ol
CID 11287621
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
1-(3,5-Dimethoxypyrazin-2-yl)-4,4,4-trifluorobutan-1-ol
CID 104368857

Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-(3,5-dimethoxypyrazin-2-yl)methanol?
The IUPAC name of (4,4-difluorocyclohexyl)-(3,5-dimethoxypyrazin-2-yl)methanol (CID 105123424) is (4,4-difluorocyclohexyl)-(3,5-dimethoxypyrazin-2-yl)methanol.
What is the SMILES notation for (4,4-difluorocyclohexyl)-(3,5-dimethoxypyrazin-2-yl)methanol?
The canonical SMILES for (4,4-difluorocyclohexyl)-(3,5-dimethoxypyrazin-2-yl)methanol is COc1cnc(C(O)C2CCC(F)(F)CC2)c(OC)n1.
What is the InChIKey of (4,4-difluorocyclohexyl)-(3,5-dimethoxypyrazin-2-yl)methanol?
The InChIKey is KZIUQBTTZZUCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O3/c1-19-9-7-16-10(12(17-9)20-2)11(18)8-3-5-13(14,15)6-4-8/h7-8,11,18H,3-6H2,1-2H3.
What are the key properties of (4,4-difluorocyclohexyl)-(3,5-dimethoxypyrazin-2-yl)methanol?
(4,4-difluorocyclohexyl)-(3,5-dimethoxypyrazin-2-yl)methanol has a molecular weight of 288.29 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-(3,5-dimethoxypyrazin-2-yl)methanol is sourced from PubChem (CID 105123424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).