[6-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanol

C12H9F3N2O2 — CID 66465494

IUPAC[6-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanol
SMILESOCc1cncc(Oc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C12H9F3N2O2/c13-12(14,15)8-2-1-3-10(4-8)19-11-6-16-5-9(7-18)17-11/h1-6,18H,7H2
InChIKeyXRSKHJRLVCDQIB-UHFFFAOYSA-N
MW270.21 g/mol
LogP2.78
Rot. Bonds3

About [6-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanol

[6-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanol (PubChem CID 66465494) has the molecular formula C12H9F3N2O2 and a molecular weight of 270.21 g/mol. Its IUPAC name is [6-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[6-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanol
PubChem CID66465494
Molecular FormulaC12H9F3N2O2
Molecular Weight270.21 g/mol
Exact Mass270.06
IUPAC Name[6-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanol
SMILESOCc1cncc(Oc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C12H9F3N2O2/c13-12(14,15)8-2-1-3-10(4-8)19-11-6-16-5-9(7-18)17-11/h1-6,18H,7H2
InChIKeyXRSKHJRLVCDQIB-UHFFFAOYSA-N
XLogP2.78
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanol?
The IUPAC name of [6-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanol (CID 66465494) is [6-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanol.
What is the SMILES notation for [6-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanol?
The canonical SMILES for [6-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanol is OCc1cncc(Oc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of [6-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanol?
The InChIKey is XRSKHJRLVCDQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O2/c13-12(14,15)8-2-1-3-10(4-8)19-11-6-16-5-9(7-18)17-11/h1-6,18H,7H2.
What are the key properties of [6-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanol?
[6-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanol has a molecular weight of 270.21 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanol is sourced from PubChem (CID 66465494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).