(2R,3R,4R)-2-(2-methylpropyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol

C15H21F3N2O3 — CID 178008144

IUPAC(2R,3R,4R)-2-(2-methylpropyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol
SMILESCC(C)C[C@H]1OCC(Cc2cncc(C(F)(F)F)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C15H21F3N2O3/c1-8(2)3-11-14(22)13(21)9(7-23-11)4-10-5-19-6-12(20-10)15(16,17)18/h5-6,8-9,11,13-14,21-22H,3-4,7H2,1-2H3/t9?,11-,13-,14+/m1/s1
InChIKeyHNIFXDUOUHBQPY-PJTMPNICSA-N
MW334.34 g/mol
LogP1.82
Rot. Bonds4

About (2R,3R,4R)-2-(2-methylpropyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol

(2R,3R,4R)-2-(2-methylpropyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol (PubChem CID 178008144) has the molecular formula C15H21F3N2O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is (2R,3R,4R)-2-(2-methylpropyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R)-2-(2-methylpropyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol
PubChem CID178008144
Molecular FormulaC15H21F3N2O3
Molecular Weight334.34 g/mol
Exact Mass334.15
IUPAC Name(2R,3R,4R)-2-(2-methylpropyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol
SMILESCC(C)C[C@H]1OCC(Cc2cncc(C(F)(F)F)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C15H21F3N2O3/c1-8(2)3-11-14(22)13(21)9(7-23-11)4-10-5-19-6-12(20-10)15(16,17)18/h5-6,8-9,11,13-14,21-22H,3-4,7H2,1-2H3/t9?,11-,13-,14+/m1/s1
InChIKeyHNIFXDUOUHBQPY-PJTMPNICSA-N
XLogP1.82
TPSA75.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,3R,4R)-2-(2-methylpropyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol with MolForge

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Related Compounds

(2R,3S)-3-fluoro-4-[6-[(2S)-2-fluorobutyl]pyrazin-2-yl]butane-1,2-diol
CID 57296319
2-Methyl-6-(trifluoromethyl)pyrazine;2-propan-2-yloxane-3,4-diol
CID 171557584
(2R,3R,4R)-2-(hydroxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol
CID 171557894
(2R,3R,4R,5S)-2-(2-methylpropyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol
CID 171558885
Ethane;2-propan-2-yl-5-[5-(trifluoromethyl)pyrazin-2-yl]cyclohexan-1-ol
CID 171660769
2-(2-Methylpropyl)oxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine
CID 178007628
(2R,3R,4R)-2-ethyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol
CID 178007863
2-(1,1-Difluoro-2-methylpropyl)-6-methylpyrazine;oxane-3,4-diol
CID 178008050
Ethane;2-methyl-6-(trifluoromethyl)pyrazine;6-propan-2-yloxane-3,4-diol
CID 178008463
Ethane;6-propan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol
CID 178008573
2-Propan-2-yl-5-[5-(trifluoromethyl)pyrazin-2-yl]cyclohexan-1-ol
CID 171660770
6-Propan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol
CID 178008574

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-2-(2-methylpropyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol?
The IUPAC name of (2R,3R,4R)-2-(2-methylpropyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol (CID 178008144) is (2R,3R,4R)-2-(2-methylpropyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R)-2-(2-methylpropyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol?
The canonical SMILES for (2R,3R,4R)-2-(2-methylpropyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol is CC(C)C[C@H]1OCC(Cc2cncc(C(F)(F)F)n2)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R)-2-(2-methylpropyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol?
The InChIKey is HNIFXDUOUHBQPY-PJTMPNICSA-N. The full InChI is InChI=1S/C15H21F3N2O3/c1-8(2)3-11-14(22)13(21)9(7-23-11)4-10-5-19-6-12(20-10)15(16,17)18/h5-6,8-9,11,13-14,21-22H,3-4,7H2,1-2H3/t9?,11-,13-,14+/m1/s1.
What are the key properties of (2R,3R,4R)-2-(2-methylpropyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol?
(2R,3R,4R)-2-(2-methylpropyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol has a molecular weight of 334.34 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-2-(2-methylpropyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol is sourced from PubChem (CID 178008144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).