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

C12H4Cl3F6N3O2 — CID 54452123

IUPAC2-chloro-4-(2,4-dichlorophenoxy)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine
SMILESFC(F)(F)C(Oc1nc(Cl)nc(Oc2ccc(Cl)cc2Cl)n1)C(F)(F)F
InChIInChI=1S/C12H4Cl3F6N3O2/c13-4-1-2-6(5(14)3-4)25-9-22-8(15)23-10(24-9)26-7(11(16,17)18)12(19,20)21/h1-3,7H
InChIKeyWVQSNIDBVUMKDZ-UHFFFAOYSA-N
MW442.53 g/mol
LogP5.50
Rot. Bonds4

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

2-chloro-4-(2,4-dichlorophenoxy)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine (PubChem CID 54452123) has the molecular formula C12H4Cl3F6N3O2 and a molecular weight of 442.53 g/mol. Its IUPAC name is 2-chloro-4-(2,4-dichlorophenoxy)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(2,4-dichlorophenoxy)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine
PubChem CID54452123
Molecular FormulaC12H4Cl3F6N3O2
Molecular Weight442.53 g/mol
Exact Mass440.93
IUPAC Name2-chloro-4-(2,4-dichlorophenoxy)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine
SMILESFC(F)(F)C(Oc1nc(Cl)nc(Oc2ccc(Cl)cc2Cl)n1)C(F)(F)F
InChIInChI=1S/C12H4Cl3F6N3O2/c13-4-1-2-6(5(14)3-4)25-9-22-8(15)23-10(24-9)26-7(11(16,17)18)12(19,20)21/h1-3,7H
InChIKeyWVQSNIDBVUMKDZ-UHFFFAOYSA-N
XLogP5.50
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.53
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,4-dichlorophenoxy)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(2,4-dichlorophenoxy)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine (CID 54452123) is 2-chloro-4-(2,4-dichlorophenoxy)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(2,4-dichlorophenoxy)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(2,4-dichlorophenoxy)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine is FC(F)(F)C(Oc1nc(Cl)nc(Oc2ccc(Cl)cc2Cl)n1)C(F)(F)F.
What is the InChIKey of 2-chloro-4-(2,4-dichlorophenoxy)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine?
The InChIKey is WVQSNIDBVUMKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4Cl3F6N3O2/c13-4-1-2-6(5(14)3-4)25-9-22-8(15)23-10(24-9)26-7(11(16,17)18)12(19,20)21/h1-3,7H.
What are the key properties of 2-chloro-4-(2,4-dichlorophenoxy)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine?
2-chloro-4-(2,4-dichlorophenoxy)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine has a molecular weight of 442.53 g/mol, XLogP of 5.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,4-dichlorophenoxy)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine is sourced from PubChem (CID 54452123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).