3-(4,6-difluoro-1,3,5-triazin-2-yl)pentane-2,4-diol

C8H11F2N3O2 — CID 169008931

IUPAC3-(4,6-difluoro-1,3,5-triazin-2-yl)pentane-2,4-diol
SMILESCC(O)C(c1nc(F)nc(F)n1)C(C)O
InChIInChI=1S/C8H11F2N3O2/c1-3(14)5(4(2)15)6-11-7(9)13-8(10)12-6/h3-5,14-15H,1-2H3
InChIKeyGXRCAZJPMFIVSE-UHFFFAOYSA-N
MW219.19 g/mol
LogP-0.00
Rot. Bonds3

About 3-(4,6-difluoro-1,3,5-triazin-2-yl)pentane-2,4-diol

3-(4,6-difluoro-1,3,5-triazin-2-yl)pentane-2,4-diol (PubChem CID 169008931) has the molecular formula C8H11F2N3O2 and a molecular weight of 219.19 g/mol. Its IUPAC name is 3-(4,6-difluoro-1,3,5-triazin-2-yl)pentane-2,4-diol.

Molecular Properties

Compound Name3-(4,6-difluoro-1,3,5-triazin-2-yl)pentane-2,4-diol
PubChem CID169008931
Molecular FormulaC8H11F2N3O2
Molecular Weight219.19 g/mol
Exact Mass219.08
IUPAC Name3-(4,6-difluoro-1,3,5-triazin-2-yl)pentane-2,4-diol
SMILESCC(O)C(c1nc(F)nc(F)n1)C(C)O
InChIInChI=1S/C8H11F2N3O2/c1-3(14)5(4(2)15)6-11-7(9)13-8(10)12-6/h3-5,14-15H,1-2H3
InChIKeyGXRCAZJPMFIVSE-UHFFFAOYSA-N
XLogP-0.00
TPSA79.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-difluoro-1,3,5-triazin-2-yl)pentane-2,4-diol?
The IUPAC name of 3-(4,6-difluoro-1,3,5-triazin-2-yl)pentane-2,4-diol (CID 169008931) is 3-(4,6-difluoro-1,3,5-triazin-2-yl)pentane-2,4-diol.
What is the SMILES notation for 3-(4,6-difluoro-1,3,5-triazin-2-yl)pentane-2,4-diol?
The canonical SMILES for 3-(4,6-difluoro-1,3,5-triazin-2-yl)pentane-2,4-diol is CC(O)C(c1nc(F)nc(F)n1)C(C)O.
What is the InChIKey of 3-(4,6-difluoro-1,3,5-triazin-2-yl)pentane-2,4-diol?
The InChIKey is GXRCAZJPMFIVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O2/c1-3(14)5(4(2)15)6-11-7(9)13-8(10)12-6/h3-5,14-15H,1-2H3.
What are the key properties of 3-(4,6-difluoro-1,3,5-triazin-2-yl)pentane-2,4-diol?
3-(4,6-difluoro-1,3,5-triazin-2-yl)pentane-2,4-diol has a molecular weight of 219.19 g/mol, XLogP of -0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-difluoro-1,3,5-triazin-2-yl)pentane-2,4-diol is sourced from PubChem (CID 169008931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).