2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4,6-dimethoxy-1,3,5-triazine

C8H6F7N3O2 — CID 101034458

IUPAC2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4,6-dimethoxy-1,3,5-triazine
SMILESCOc1nc(OC)nc(C(F)(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C8H6F7N3O2/c1-19-4-16-3(17-5(18-4)20-2)6(9,7(10,11)12)8(13,14)15/h1-2H3
InChIKeyATXPVRNRWRKHIJ-UHFFFAOYSA-N
MW309.14 g/mol
LogP2.18
Rot. Bonds3

About 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4,6-dimethoxy-1,3,5-triazine

2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4,6-dimethoxy-1,3,5-triazine (PubChem CID 101034458) has the molecular formula C8H6F7N3O2 and a molecular weight of 309.14 g/mol. Its IUPAC name is 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4,6-dimethoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4,6-dimethoxy-1,3,5-triazine
PubChem CID101034458
Molecular FormulaC8H6F7N3O2
Molecular Weight309.14 g/mol
Exact Mass309.03
IUPAC Name2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4,6-dimethoxy-1,3,5-triazine
SMILESCOc1nc(OC)nc(C(F)(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C8H6F7N3O2/c1-19-4-16-3(17-5(18-4)20-2)6(9,7(10,11)12)8(13,14)15/h1-2H3
InChIKeyATXPVRNRWRKHIJ-UHFFFAOYSA-N
XLogP2.18
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.14
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4,6-dimethoxy-1,3,5-triazine?
The IUPAC name of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4,6-dimethoxy-1,3,5-triazine (CID 101034458) is 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4,6-dimethoxy-1,3,5-triazine.
What is the SMILES notation for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4,6-dimethoxy-1,3,5-triazine?
The canonical SMILES for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4,6-dimethoxy-1,3,5-triazine is COc1nc(OC)nc(C(F)(C(F)(F)F)C(F)(F)F)n1.
What is the InChIKey of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4,6-dimethoxy-1,3,5-triazine?
The InChIKey is ATXPVRNRWRKHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F7N3O2/c1-19-4-16-3(17-5(18-4)20-2)6(9,7(10,11)12)8(13,14)15/h1-2H3.
What are the key properties of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4,6-dimethoxy-1,3,5-triazine?
2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4,6-dimethoxy-1,3,5-triazine has a molecular weight of 309.14 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4,6-dimethoxy-1,3,5-triazine is sourced from PubChem (CID 101034458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).