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

C13H15F3N2O2 — CID 105126821

IUPAC(3-methoxypyrazin-2-yl)-[2-(trifluoromethyl)cyclohexyl]methanone
SMILESCOc1nccnc1C(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H15F3N2O2/c1-20-12-10(17-6-7-18-12)11(19)8-4-2-3-5-9(8)13(14,15)16/h6-9H,2-5H2,1H3
InChIKeyITMWVOGYWKUSGK-UHFFFAOYSA-N
MW288.27 g/mol
LogP3.04
Rot. Bonds3

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

(3-methoxypyrazin-2-yl)-[2-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 105126821) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is (3-methoxypyrazin-2-yl)-[2-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name(3-methoxypyrazin-2-yl)-[2-(trifluoromethyl)cyclohexyl]methanone
PubChem CID105126821
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name(3-methoxypyrazin-2-yl)-[2-(trifluoromethyl)cyclohexyl]methanone
SMILESCOc1nccnc1C(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H15F3N2O2/c1-20-12-10(17-6-7-18-12)11(19)8-4-2-3-5-9(8)13(14,15)16/h6-9H,2-5H2,1H3
InChIKeyITMWVOGYWKUSGK-UHFFFAOYSA-N
XLogP3.04
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methoxypyrazin-2-yl)-[2-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of (3-methoxypyrazin-2-yl)-[2-(trifluoromethyl)cyclohexyl]methanone (CID 105126821) is (3-methoxypyrazin-2-yl)-[2-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for (3-methoxypyrazin-2-yl)-[2-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for (3-methoxypyrazin-2-yl)-[2-(trifluoromethyl)cyclohexyl]methanone is COc1nccnc1C(=O)C1CCCCC1C(F)(F)F.
What is the InChIKey of (3-methoxypyrazin-2-yl)-[2-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is ITMWVOGYWKUSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c1-20-12-10(17-6-7-18-12)11(19)8-4-2-3-5-9(8)13(14,15)16/h6-9H,2-5H2,1H3.
What are the key properties of (3-methoxypyrazin-2-yl)-[2-(trifluoromethyl)cyclohexyl]methanone?
(3-methoxypyrazin-2-yl)-[2-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 288.27 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxypyrazin-2-yl)-[2-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 105126821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).