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

C6H4Cl2F3N3O — CID 82956042

IUPAC2,4-dichloro-6-(3,3,3-trifluoropropoxy)-1,3,5-triazine
SMILESFC(F)(F)CCOc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C6H4Cl2F3N3O/c7-3-12-4(8)14-5(13-3)15-2-1-6(9,10)11/h1-2H2
InChIKeyDDKRMNMPUPNJKF-UHFFFAOYSA-N
MW262.02 g/mol
LogP2.51
Rot. Bonds3

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

2,4-dichloro-6-(3,3,3-trifluoropropoxy)-1,3,5-triazine (PubChem CID 82956042) has the molecular formula C6H4Cl2F3N3O and a molecular weight of 262.02 g/mol. Its IUPAC name is 2,4-dichloro-6-(3,3,3-trifluoropropoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-(3,3,3-trifluoropropoxy)-1,3,5-triazine
PubChem CID82956042
Molecular FormulaC6H4Cl2F3N3O
Molecular Weight262.02 g/mol
Exact Mass260.97
IUPAC Name2,4-dichloro-6-(3,3,3-trifluoropropoxy)-1,3,5-triazine
SMILESFC(F)(F)CCOc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C6H4Cl2F3N3O/c7-3-12-4(8)14-5(13-3)15-2-1-6(9,10)11/h1-2H2
InChIKeyDDKRMNMPUPNJKF-UHFFFAOYSA-N
XLogP2.51
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.02
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(3,3,3-trifluoropropoxy)-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-(3,3,3-trifluoropropoxy)-1,3,5-triazine (CID 82956042) is 2,4-dichloro-6-(3,3,3-trifluoropropoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-(3,3,3-trifluoropropoxy)-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-(3,3,3-trifluoropropoxy)-1,3,5-triazine is FC(F)(F)CCOc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2,4-dichloro-6-(3,3,3-trifluoropropoxy)-1,3,5-triazine?
The InChIKey is DDKRMNMPUPNJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2F3N3O/c7-3-12-4(8)14-5(13-3)15-2-1-6(9,10)11/h1-2H2.
What are the key properties of 2,4-dichloro-6-(3,3,3-trifluoropropoxy)-1,3,5-triazine?
2,4-dichloro-6-(3,3,3-trifluoropropoxy)-1,3,5-triazine has a molecular weight of 262.02 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(3,3,3-trifluoropropoxy)-1,3,5-triazine is sourced from PubChem (CID 82956042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).