2,4-dichloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine

C6HCl2F6N3O — CID 87242005

IUPAC2,4-dichloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine
SMILESFC(F)(F)C(Oc1nc(Cl)nc(Cl)n1)C(F)(F)F
InChIInChI=1S/C6HCl2F6N3O/c7-2-15-3(8)17-4(16-2)18-1(5(9,10)11)6(12,13)14/h1H
InChIKeyRLUITKZEDAVPDP-UHFFFAOYSA-N
MW315.99 g/mol
LogP3.05
Rot. Bonds2

About 2,4-dichloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine

2,4-dichloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine (PubChem CID 87242005) has the molecular formula C6HCl2F6N3O and a molecular weight of 315.99 g/mol. Its IUPAC name is 2,4-dichloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine
PubChem CID87242005
Molecular FormulaC6HCl2F6N3O
Molecular Weight315.99 g/mol
Exact Mass314.94
IUPAC Name2,4-dichloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine
SMILESFC(F)(F)C(Oc1nc(Cl)nc(Cl)n1)C(F)(F)F
InChIInChI=1S/C6HCl2F6N3O/c7-2-15-3(8)17-4(16-2)18-1(5(9,10)11)6(12,13)14/h1H
InChIKeyRLUITKZEDAVPDP-UHFFFAOYSA-N
XLogP3.05
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.99
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-Dichloro-6-isopropoxy-1,3,5-triazine
CID 23154
2-Chloro-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 53342808
2,4,6-Tris[1-(trifluoromethyl)-2,2,2-trifluoroethoxy]-1,3,5-triazine
CID 2827226
2,4-Difluoro-6-propan-2-yloxy-1,3,5-triazine
CID 20034770
2,4-Dichloro-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 58039636
2,4-Dichloro-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine
CID 62859410
2,4-Dichloro-6-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine
CID 87242004
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-Difluoro-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 171774630
2,4-Difluoro-6-(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazine
CID 171774631
6-(1,1,1,3,3,3-Hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine
CID 175708090

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine (CID 87242005) is 2,4-dichloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine is FC(F)(F)C(Oc1nc(Cl)nc(Cl)n1)C(F)(F)F.
What is the InChIKey of 2,4-dichloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine?
The InChIKey is RLUITKZEDAVPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HCl2F6N3O/c7-2-15-3(8)17-4(16-2)18-1(5(9,10)11)6(12,13)14/h1H.
What are the key properties of 2,4-dichloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine?
2,4-dichloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine has a molecular weight of 315.99 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine is sourced from PubChem (CID 87242005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).