4,4,4-trifluoro-1-(5-methylpyrazin-2-yl)butan-1-ol

C9H11F3N2O — CID 105104687

IUPAC4,4,4-trifluoro-1-(5-methylpyrazin-2-yl)butan-1-ol
SMILESCc1cnc(C(O)CCC(F)(F)F)cn1
InChIInChI=1S/C9H11F3N2O/c1-6-4-14-7(5-13-6)8(15)2-3-9(10,11)12/h4-5,8,15H,2-3H2,1H3
InChIKeySSEAHTMEOQPFOM-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.16
Rot. Bonds3

About 4,4,4-trifluoro-1-(5-methylpyrazin-2-yl)butan-1-ol

4,4,4-trifluoro-1-(5-methylpyrazin-2-yl)butan-1-ol (PubChem CID 105104687) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(5-methylpyrazin-2-yl)butan-1-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(5-methylpyrazin-2-yl)butan-1-ol
PubChem CID105104687
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name4,4,4-trifluoro-1-(5-methylpyrazin-2-yl)butan-1-ol
SMILESCc1cnc(C(O)CCC(F)(F)F)cn1
InChIInChI=1S/C9H11F3N2O/c1-6-4-14-7(5-13-6)8(15)2-3-9(10,11)12/h4-5,8,15H,2-3H2,1H3
InChIKeySSEAHTMEOQPFOM-UHFFFAOYSA-N
XLogP2.16
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,4,4-trifluoro-1-(5-methylpyrazin-2-yl)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(Pyrazin-2-yl)ethan-1-ol
CID 573013
(1R)-1-(pyrazin-2-yl)ethan-1-ol
CID 15032166
1-(5-Chloropyrazin-2-yl)-2,2,2-trifluoroethan-1-ol
CID 146049012
(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

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(5-methylpyrazin-2-yl)butan-1-ol?
The IUPAC name of 4,4,4-trifluoro-1-(5-methylpyrazin-2-yl)butan-1-ol (CID 105104687) is 4,4,4-trifluoro-1-(5-methylpyrazin-2-yl)butan-1-ol.
What is the SMILES notation for 4,4,4-trifluoro-1-(5-methylpyrazin-2-yl)butan-1-ol?
The canonical SMILES for 4,4,4-trifluoro-1-(5-methylpyrazin-2-yl)butan-1-ol is Cc1cnc(C(O)CCC(F)(F)F)cn1.
What is the InChIKey of 4,4,4-trifluoro-1-(5-methylpyrazin-2-yl)butan-1-ol?
The InChIKey is SSEAHTMEOQPFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-6-4-14-7(5-13-6)8(15)2-3-9(10,11)12/h4-5,8,15H,2-3H2,1H3.
What are the key properties of 4,4,4-trifluoro-1-(5-methylpyrazin-2-yl)butan-1-ol?
4,4,4-trifluoro-1-(5-methylpyrazin-2-yl)butan-1-ol has a molecular weight of 220.19 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(5-methylpyrazin-2-yl)butan-1-ol is sourced from PubChem (CID 105104687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).