[5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methanol

C8H8F4N2O2 — CID 107373147

IUPAC[5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methanol
SMILESOCc1cnc(OCC(F)(F)C(F)F)cn1
InChIInChI=1S/C8H8F4N2O2/c9-7(10)8(11,12)4-16-6-2-13-5(3-15)1-14-6/h1-2,7,15H,3-4H2
InChIKeyXMQAPTFVWIGWAP-UHFFFAOYSA-N
MW240.16 g/mol
LogP1.25
Rot. Bonds5

About [5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methanol

[5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methanol (PubChem CID 107373147) has the molecular formula C8H8F4N2O2 and a molecular weight of 240.16 g/mol. Its IUPAC name is [5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methanol
PubChem CID107373147
Molecular FormulaC8H8F4N2O2
Molecular Weight240.16 g/mol
Exact Mass240.05
IUPAC Name[5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methanol
SMILESOCc1cnc(OCC(F)(F)C(F)F)cn1
InChIInChI=1S/C8H8F4N2O2/c9-7(10)8(11,12)4-16-6-2-13-5(3-15)1-14-6/h1-2,7,15H,3-4H2
InChIKeyXMQAPTFVWIGWAP-UHFFFAOYSA-N
XLogP1.25
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.16
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-6-propoxypyrazine
CID 100240
(5-Methoxypyrazin-2-yl)methanol
CID 23461950
(6-(2-(2-(2-Methoxyethoxy)ethoxy)ethoxy)pyrazin-2-yl)methanol
CID 104564158
2-Methyl-5-(2,2,2-trifluoroethoxy)pyrazine
CID 68236301
2-(4-Fluorobut-2-ynoxy)-5-methylpyrazine
CID 70235062
2-(2-Fluoroethoxy)-5-methylpyrazine
CID 88224400
[6-Methyl-5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]methanol
CID 89874037
2-(2,2-Difluoroethoxy)-5-ethylpyrazine
CID 90917448
2-Pyrazinemethanol, 5-(2,2,2-trifluoroethoxy)-
CID 107373127
2-(Chloromethyl)-5-(2,2,2-trifluoroethoxy)pyrazine;[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]methanol
CID 117840153
[5-(1,2,2-Trifluoroethoxy)pyrazin-2-yl]methanol
CID 117925422
2-Methyl-5-(1,1,1-trifluoropropan-2-yloxy)pyrazine
CID 126556965

Frequently Asked Questions

What is the IUPAC name of [5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methanol?
The IUPAC name of [5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methanol (CID 107373147) is [5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methanol.
What is the SMILES notation for [5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methanol?
The canonical SMILES for [5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methanol is OCc1cnc(OCC(F)(F)C(F)F)cn1.
What is the InChIKey of [5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methanol?
The InChIKey is XMQAPTFVWIGWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F4N2O2/c9-7(10)8(11,12)4-16-6-2-13-5(3-15)1-14-6/h1-2,7,15H,3-4H2.
What are the key properties of [5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methanol?
[5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methanol has a molecular weight of 240.16 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methanol is sourced from PubChem (CID 107373147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).