4-[5-(trifluoromethoxy)pyrazin-2-yl]oxycyclohexan-1-one

C11H11F3N2O3 — CID 168963967

IUPAC4-[5-(trifluoromethoxy)pyrazin-2-yl]oxycyclohexan-1-one
SMILESO=C1CCC(Oc2cnc(OC(F)(F)F)cn2)CC1
InChIInChI=1S/C11H11F3N2O3/c12-11(13,14)19-10-6-15-9(5-16-10)18-8-3-1-7(17)2-4-8/h5-6,8H,1-4H2
InChIKeyMHAVSNVSIOZWDH-UHFFFAOYSA-N
MW276.21 g/mol
LogP2.27
Rot. Bonds3

About 4-[5-(trifluoromethoxy)pyrazin-2-yl]oxycyclohexan-1-one

4-[5-(trifluoromethoxy)pyrazin-2-yl]oxycyclohexan-1-one (PubChem CID 168963967) has the molecular formula C11H11F3N2O3 and a molecular weight of 276.21 g/mol. Its IUPAC name is 4-[5-(trifluoromethoxy)pyrazin-2-yl]oxycyclohexan-1-one.

Molecular Properties

Compound Name4-[5-(trifluoromethoxy)pyrazin-2-yl]oxycyclohexan-1-one
PubChem CID168963967
Molecular FormulaC11H11F3N2O3
Molecular Weight276.21 g/mol
Exact Mass276.07
IUPAC Name4-[5-(trifluoromethoxy)pyrazin-2-yl]oxycyclohexan-1-one
SMILESO=C1CCC(Oc2cnc(OC(F)(F)F)cn2)CC1
InChIInChI=1S/C11H11F3N2O3/c12-11(13,14)19-10-6-15-9(5-16-10)18-8-3-1-7(17)2-4-8/h5-6,8H,1-4H2
InChIKeyMHAVSNVSIOZWDH-UHFFFAOYSA-N
XLogP2.27
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(trifluoromethoxy)pyrazin-2-yl]oxycyclohexan-1-one?
The IUPAC name of 4-[5-(trifluoromethoxy)pyrazin-2-yl]oxycyclohexan-1-one (CID 168963967) is 4-[5-(trifluoromethoxy)pyrazin-2-yl]oxycyclohexan-1-one.
What is the SMILES notation for 4-[5-(trifluoromethoxy)pyrazin-2-yl]oxycyclohexan-1-one?
The canonical SMILES for 4-[5-(trifluoromethoxy)pyrazin-2-yl]oxycyclohexan-1-one is O=C1CCC(Oc2cnc(OC(F)(F)F)cn2)CC1.
What is the InChIKey of 4-[5-(trifluoromethoxy)pyrazin-2-yl]oxycyclohexan-1-one?
The InChIKey is MHAVSNVSIOZWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O3/c12-11(13,14)19-10-6-15-9(5-16-10)18-8-3-1-7(17)2-4-8/h5-6,8H,1-4H2.
What are the key properties of 4-[5-(trifluoromethoxy)pyrazin-2-yl]oxycyclohexan-1-one?
4-[5-(trifluoromethoxy)pyrazin-2-yl]oxycyclohexan-1-one has a molecular weight of 276.21 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(trifluoromethoxy)pyrazin-2-yl]oxycyclohexan-1-one is sourced from PubChem (CID 168963967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).