5,5,5-trifluoro-1-pyrazin-2-ylpentan-1-ol

C9H11F3N2O — CID 115516047

IUPAC5,5,5-trifluoro-1-pyrazin-2-ylpentan-1-ol
SMILESOC(CCCC(F)(F)F)c1cnccn1
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)3-1-2-8(15)7-6-13-4-5-14-7/h4-6,8,15H,1-3H2
InChIKeyZLCORXQTVXSBJW-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.24
Rot. Bonds4

About 5,5,5-trifluoro-1-pyrazin-2-ylpentan-1-ol

5,5,5-trifluoro-1-pyrazin-2-ylpentan-1-ol (PubChem CID 115516047) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-pyrazin-2-ylpentan-1-ol.

Molecular Properties

Compound Name5,5,5-trifluoro-1-pyrazin-2-ylpentan-1-ol
PubChem CID115516047
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name5,5,5-trifluoro-1-pyrazin-2-ylpentan-1-ol
SMILESOC(CCCC(F)(F)F)c1cnccn1
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)3-1-2-8(15)7-6-13-4-5-14-7/h4-6,8,15H,1-3H2
InChIKeyZLCORXQTVXSBJW-UHFFFAOYSA-N
XLogP2.24
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Pyrazin-2-yl)ethan-1-ol
CID 573013
(1R)-1-(pyrazin-2-yl)ethan-1-ol
CID 15032166
(1S)-1-(pyrazin-2-yl)ethan-1-ol
CID 51656285
2,5-Bis-(tetrahydroxybutyl)-pyrazine
CID 87151883
1-(3-Fluoropyrazin-2-yl)ethanol
CID 15369689
(2R,3S,4R)-3-fluoro-4-[6-[(2S,3R)-2-fluoro-3,4-dihydroxybutyl]pyrazin-2-yl]butane-1,2,4-triol
CID 18712854
(1R,2S,3R)-4-fluoro-1-[5-[(2S,3R)-2,3,4-trihydroxybutyl]pyrazin-2-yl]butane-1,2,3-triol
CID 20684299
(1R,2S,3S)-4-fluoro-1-[5-[(2S,3R)-2,3,4-trihydroxybutyl]pyrazin-2-yl]butane-1,2,3-triol
CID 20684300
3-Fluoro-4-[6-(2-fluoro-3,4-dihydroxybutyl)pyrazin-2-yl]butane-1,2,4-triol
CID 22624070
1,1,1-Trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol
CID 68733028
4,4,4-Trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol
CID 68733030
1,1-Difluoro-2-[5-(hydroxymethyl)pyrazin-2-yl]propan-2-ol
CID 69608293

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-pyrazin-2-ylpentan-1-ol?
The IUPAC name of 5,5,5-trifluoro-1-pyrazin-2-ylpentan-1-ol (CID 115516047) is 5,5,5-trifluoro-1-pyrazin-2-ylpentan-1-ol.
What is the SMILES notation for 5,5,5-trifluoro-1-pyrazin-2-ylpentan-1-ol?
The canonical SMILES for 5,5,5-trifluoro-1-pyrazin-2-ylpentan-1-ol is OC(CCCC(F)(F)F)c1cnccn1.
What is the InChIKey of 5,5,5-trifluoro-1-pyrazin-2-ylpentan-1-ol?
The InChIKey is ZLCORXQTVXSBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c10-9(11,12)3-1-2-8(15)7-6-13-4-5-14-7/h4-6,8,15H,1-3H2.
What are the key properties of 5,5,5-trifluoro-1-pyrazin-2-ylpentan-1-ol?
5,5,5-trifluoro-1-pyrazin-2-ylpentan-1-ol has a molecular weight of 220.19 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-pyrazin-2-ylpentan-1-ol is sourced from PubChem (CID 115516047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).