(2S)-1,1,1-trifluoro-3-pyrazin-2-ylpropan-2-ol

C7H7F3N2O — CID 44514042

IUPAC(2S)-1,1,1-trifluoro-3-pyrazin-2-ylpropan-2-ol
SMILESO[C@@H](Cc1cnccn1)C(F)(F)F
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)6(13)3-5-4-11-1-2-12-5/h1-2,4,6,13H,3H2/t6-/m0/s1
InChIKeyZTDJYQBGFOOOBP-LURJTMIESA-N
MW192.14 g/mol
LogP0.94
Rot. Bonds2

About (2S)-1,1,1-trifluoro-3-pyrazin-2-ylpropan-2-ol

(2S)-1,1,1-trifluoro-3-pyrazin-2-ylpropan-2-ol (PubChem CID 44514042) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoro-3-pyrazin-2-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1,1,1-trifluoro-3-pyrazin-2-ylpropan-2-ol
PubChem CID44514042
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name(2S)-1,1,1-trifluoro-3-pyrazin-2-ylpropan-2-ol
SMILESO[C@@H](Cc1cnccn1)C(F)(F)F
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)6(13)3-5-4-11-1-2-12-5/h1-2,4,6,13H,3H2/t6-/m0/s1
InChIKeyZTDJYQBGFOOOBP-LURJTMIESA-N
XLogP0.94
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 19895613
1,1,1-trifluoro-3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 63345875
(2S)-3-(5-bromo-2-pyridinyl)-1,1,1-trifluoropropan-2-ol
CID 104800606
(2S)-1,1,1-trifluoro-3-pyridin-4-ylpropan-2-ol
CID 96823406
2-(iodomethyl)pyrazine
CID 21189711
(2R)-1,1,1-trifluoro-3-[(1R)-1-pyrazin-2-ylethyl]sulfanylpropan-2-ol
CID 99832858
1,1,1-trifluoro-3-(1-pyrazin-2-ylethylamino)propan-2-ol
CID 115712106
3-(pyrazin-2-ylmethylsulfanyl)propane-1,2-diol
CID 79682879
1-[methyl(pyrazin-2-ylmethyl)amino]propan-2-ol
CID 62333203
(2S)-2-amino-3-pyrazin-2-ylpropanoic acid;hydrochloride
CID 178184520
1,1,1-trifluoro-3-(1,3-thiazol-2-yl)propan-2-ol
CID 79825119

Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,1-trifluoro-3-pyrazin-2-ylpropan-2-ol?
The IUPAC name of (2S)-1,1,1-trifluoro-3-pyrazin-2-ylpropan-2-ol (CID 44514042) is (2S)-1,1,1-trifluoro-3-pyrazin-2-ylpropan-2-ol.
What is the SMILES notation for (2S)-1,1,1-trifluoro-3-pyrazin-2-ylpropan-2-ol?
The canonical SMILES for (2S)-1,1,1-trifluoro-3-pyrazin-2-ylpropan-2-ol is O[C@@H](Cc1cnccn1)C(F)(F)F.
What is the InChIKey of (2S)-1,1,1-trifluoro-3-pyrazin-2-ylpropan-2-ol?
The InChIKey is ZTDJYQBGFOOOBP-LURJTMIESA-N. The full InChI is InChI=1S/C7H7F3N2O/c8-7(9,10)6(13)3-5-4-11-1-2-12-5/h1-2,4,6,13H,3H2/t6-/m0/s1.
What are the key properties of (2S)-1,1,1-trifluoro-3-pyrazin-2-ylpropan-2-ol?
(2S)-1,1,1-trifluoro-3-pyrazin-2-ylpropan-2-ol has a molecular weight of 192.14 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1-trifluoro-3-pyrazin-2-ylpropan-2-ol is sourced from PubChem (CID 44514042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).