[6-(4,4,4-trifluorobutoxy)pyrazin-2-yl]methanol

C9H11F3N2O2 — CID 82789486

IUPAC[6-(4,4,4-trifluorobutoxy)pyrazin-2-yl]methanol
SMILESOCc1cncc(OCCCC(F)(F)F)n1
InChIInChI=1S/C9H11F3N2O2/c10-9(11,12)2-1-3-16-8-5-13-4-7(6-15)14-8/h4-5,15H,1-3,6H2
InChIKeyHYQCIFZHXOCUTQ-UHFFFAOYSA-N
MW236.19 g/mol
LogP1.69
Rot. Bonds5

About [6-(4,4,4-trifluorobutoxy)pyrazin-2-yl]methanol

[6-(4,4,4-trifluorobutoxy)pyrazin-2-yl]methanol (PubChem CID 82789486) has the molecular formula C9H11F3N2O2 and a molecular weight of 236.19 g/mol. Its IUPAC name is [6-(4,4,4-trifluorobutoxy)pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[6-(4,4,4-trifluorobutoxy)pyrazin-2-yl]methanol
PubChem CID82789486
Molecular FormulaC9H11F3N2O2
Molecular Weight236.19 g/mol
Exact Mass236.08
IUPAC Name[6-(4,4,4-trifluorobutoxy)pyrazin-2-yl]methanol
SMILESOCc1cncc(OCCCC(F)(F)F)n1
InChIInChI=1S/C9H11F3N2O2/c10-9(11,12)2-1-3-16-8-5-13-4-7(6-15)14-8/h4-5,15H,1-3,6H2
InChIKeyHYQCIFZHXOCUTQ-UHFFFAOYSA-N
XLogP1.69
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-(4,4,4-trifluorobutoxy)pyrazin-2-yl]methanol?
The IUPAC name of [6-(4,4,4-trifluorobutoxy)pyrazin-2-yl]methanol (CID 82789486) is [6-(4,4,4-trifluorobutoxy)pyrazin-2-yl]methanol.
What is the SMILES notation for [6-(4,4,4-trifluorobutoxy)pyrazin-2-yl]methanol?
The canonical SMILES for [6-(4,4,4-trifluorobutoxy)pyrazin-2-yl]methanol is OCc1cncc(OCCCC(F)(F)F)n1.
What is the InChIKey of [6-(4,4,4-trifluorobutoxy)pyrazin-2-yl]methanol?
The InChIKey is HYQCIFZHXOCUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2/c10-9(11,12)2-1-3-16-8-5-13-4-7(6-15)14-8/h4-5,15H,1-3,6H2.
What are the key properties of [6-(4,4,4-trifluorobutoxy)pyrazin-2-yl]methanol?
[6-(4,4,4-trifluorobutoxy)pyrazin-2-yl]methanol has a molecular weight of 236.19 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4,4,4-trifluorobutoxy)pyrazin-2-yl]methanol is sourced from PubChem (CID 82789486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).