1-[5-(trifluoromethyl)pyrazin-2-yl]ethanol

C7H7F3N2O — CID 167221132

IUPAC1-[5-(trifluoromethyl)pyrazin-2-yl]ethanol
SMILESCC(O)c1cnc(C(F)(F)F)cn1
InChIInChI=1S/C7H7F3N2O/c1-4(13)5-2-12-6(3-11-5)7(8,9)10/h2-4,13H,1H3
InChIKeyLKQHNJIDDJRJKB-UHFFFAOYSA-N
MW192.14 g/mol
LogP1.55
Rot. Bonds1

About 1-[5-(trifluoromethyl)pyrazin-2-yl]ethanol

1-[5-(trifluoromethyl)pyrazin-2-yl]ethanol (PubChem CID 167221132) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)pyrazin-2-yl]ethanol.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)pyrazin-2-yl]ethanol
PubChem CID167221132
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name1-[5-(trifluoromethyl)pyrazin-2-yl]ethanol
SMILESCC(O)c1cnc(C(F)(F)F)cn1
InChIInChI=1S/C7H7F3N2O/c1-4(13)5-2-12-6(3-11-5)7(8,9)10/h2-4,13H,1H3
InChIKeyLKQHNJIDDJRJKB-UHFFFAOYSA-N
XLogP1.55
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)pyrazin-2-yl]ethanol?
The IUPAC name of 1-[5-(trifluoromethyl)pyrazin-2-yl]ethanol (CID 167221132) is 1-[5-(trifluoromethyl)pyrazin-2-yl]ethanol.
What is the SMILES notation for 1-[5-(trifluoromethyl)pyrazin-2-yl]ethanol?
The canonical SMILES for 1-[5-(trifluoromethyl)pyrazin-2-yl]ethanol is CC(O)c1cnc(C(F)(F)F)cn1.
What is the InChIKey of 1-[5-(trifluoromethyl)pyrazin-2-yl]ethanol?
The InChIKey is LKQHNJIDDJRJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c1-4(13)5-2-12-6(3-11-5)7(8,9)10/h2-4,13H,1H3.
What are the key properties of 1-[5-(trifluoromethyl)pyrazin-2-yl]ethanol?
1-[5-(trifluoromethyl)pyrazin-2-yl]ethanol has a molecular weight of 192.14 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)pyrazin-2-yl]ethanol is sourced from PubChem (CID 167221132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).