[4,6-bis[fluoro(hydroxy)methyl]-1,3,5-triazin-2-yl]-fluoromethanol

C6H6F3N3O3 — CID 164956738

IUPAC[4,6-bis[fluoro(hydroxy)methyl]-1,3,5-triazin-2-yl]-fluoromethanol
SMILESOC(F)c1nc(C(O)F)nc(C(O)F)n1
InChIInChI=1S/C6H6F3N3O3/c7-1(13)4-10-5(2(8)14)12-6(11-4)3(9)15/h1-3,13-15H
InChIKeyAVCFRVASTCDVNC-UHFFFAOYSA-N
MW225.13 g/mol
LogP-0.25
Rot. Bonds3

About [4,6-bis[fluoro(hydroxy)methyl]-1,3,5-triazin-2-yl]-fluoromethanol

[4,6-bis[fluoro(hydroxy)methyl]-1,3,5-triazin-2-yl]-fluoromethanol (PubChem CID 164956738) has the molecular formula C6H6F3N3O3 and a molecular weight of 225.13 g/mol. Its IUPAC name is [4,6-bis[fluoro(hydroxy)methyl]-1,3,5-triazin-2-yl]-fluoromethanol.

Molecular Properties

Compound Name[4,6-bis[fluoro(hydroxy)methyl]-1,3,5-triazin-2-yl]-fluoromethanol
PubChem CID164956738
Molecular FormulaC6H6F3N3O3
Molecular Weight225.13 g/mol
Exact Mass225.04
IUPAC Name[4,6-bis[fluoro(hydroxy)methyl]-1,3,5-triazin-2-yl]-fluoromethanol
SMILESOC(F)c1nc(C(O)F)nc(C(O)F)n1
InChIInChI=1S/C6H6F3N3O3/c7-1(13)4-10-5(2(8)14)12-6(11-4)3(9)15/h1-3,13-15H
InChIKeyAVCFRVASTCDVNC-UHFFFAOYSA-N
XLogP-0.25
TPSA99.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.13
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4,6-bis[fluoro(hydroxy)methyl]-1,3,5-triazin-2-yl]-fluoromethanol?
The IUPAC name of [4,6-bis[fluoro(hydroxy)methyl]-1,3,5-triazin-2-yl]-fluoromethanol (CID 164956738) is [4,6-bis[fluoro(hydroxy)methyl]-1,3,5-triazin-2-yl]-fluoromethanol.
What is the SMILES notation for [4,6-bis[fluoro(hydroxy)methyl]-1,3,5-triazin-2-yl]-fluoromethanol?
The canonical SMILES for [4,6-bis[fluoro(hydroxy)methyl]-1,3,5-triazin-2-yl]-fluoromethanol is OC(F)c1nc(C(O)F)nc(C(O)F)n1.
What is the InChIKey of [4,6-bis[fluoro(hydroxy)methyl]-1,3,5-triazin-2-yl]-fluoromethanol?
The InChIKey is AVCFRVASTCDVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O3/c7-1(13)4-10-5(2(8)14)12-6(11-4)3(9)15/h1-3,13-15H.
What are the key properties of [4,6-bis[fluoro(hydroxy)methyl]-1,3,5-triazin-2-yl]-fluoromethanol?
[4,6-bis[fluoro(hydroxy)methyl]-1,3,5-triazin-2-yl]-fluoromethanol has a molecular weight of 225.13 g/mol, XLogP of -0.25, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-bis[fluoro(hydroxy)methyl]-1,3,5-triazin-2-yl]-fluoromethanol is sourced from PubChem (CID 164956738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).