2,4,6-tris(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-1,3,5-triazine

C12F21N3O3 — CID 154329026

IUPAC2,4,6-tris(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-1,3,5-triazine
SMILESFC(F)(F)C(F)(Oc1nc(OC(F)(C(F)(F)F)C(F)(F)F)nc(OC(F)(C(F)(F)F)C(F)(F)F)n1)C(F)(F)F
InChIInChI=1S/C12F21N3O3/c13-4(7(16,17)18,8(19,20)21)37-1-34-2(38-5(14,9(22,23)24)10(25,26)27)36-3(35-1)39-6(15,11(28,29)30)12(31,32)33
InChIKeyLDQUCJFTAUWNRK-UHFFFAOYSA-N
MW633.11 g/mol
LogP6.38
Rot. Bonds6

About 2,4,6-tris(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-1,3,5-triazine

2,4,6-tris(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-1,3,5-triazine (PubChem CID 154329026) has the molecular formula C12F21N3O3 and a molecular weight of 633.11 g/mol. Its IUPAC name is 2,4,6-tris(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-1,3,5-triazine
PubChem CID154329026
Molecular FormulaC12F21N3O3
Molecular Weight633.11 g/mol
Exact Mass632.96
IUPAC Name2,4,6-tris(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-1,3,5-triazine
SMILESFC(F)(F)C(F)(Oc1nc(OC(F)(C(F)(F)F)C(F)(F)F)nc(OC(F)(C(F)(F)F)C(F)(F)F)n1)C(F)(F)F
InChIInChI=1S/C12F21N3O3/c13-4(7(16,17)18,8(19,20)21)37-1-34-2(38-5(14,9(22,23)24)10(25,26)27)36-3(35-1)39-6(15,11(28,29)30)12(31,32)33
InChIKeyLDQUCJFTAUWNRK-UHFFFAOYSA-N
XLogP6.38
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.11
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,4,6-Tris[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethoxy]-1,3,5-triazine
CID 91741108
2,4,6-Tris(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazine
CID 12586979
2-Chloro-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-1,3,5-triazine
CID 154244004
2,4,6-Tris[1-(trifluoromethyl)-2,2,2-trifluoroethoxy]-1,3,5-triazine
CID 2827226
2-Chloro-4,6-bis(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine
CID 87242006
2-Chloro-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine
CID 87242007
2,4,6-Tris(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine
CID 87242027
2,4,6-Tris(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine
CID 2832098

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-1,3,5-triazine (CID 154329026) is 2,4,6-tris(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-1,3,5-triazine is FC(F)(F)C(F)(Oc1nc(OC(F)(C(F)(F)F)C(F)(F)F)nc(OC(F)(C(F)(F)F)C(F)(F)F)n1)C(F)(F)F.
What is the InChIKey of 2,4,6-tris(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-1,3,5-triazine?
The InChIKey is LDQUCJFTAUWNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12F21N3O3/c13-4(7(16,17)18,8(19,20)21)37-1-34-2(38-5(14,9(22,23)24)10(25,26)27)36-3(35-1)39-6(15,11(28,29)30)12(31,32)33.
What are the key properties of 2,4,6-tris(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-1,3,5-triazine?
2,4,6-tris(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-1,3,5-triazine has a molecular weight of 633.11 g/mol, XLogP of 6.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-1,3,5-triazine is sourced from PubChem (CID 154329026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).