2-chloro-4-propoxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine

C8H9ClF3N3O2 — CID 55124471

IUPAC2-chloro-4-propoxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
SMILESCCCOc1nc(Cl)nc(OCC(F)(F)F)n1
InChIInChI=1S/C8H9ClF3N3O2/c1-2-3-16-6-13-5(9)14-7(15-6)17-4-8(10,11)12/h2-4H2,1H3
InChIKeyXETDHPNFBCZIAV-UHFFFAOYSA-N
MW271.63 g/mol
LogP2.25
Rot. Bonds5

About 2-chloro-4-propoxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine

2-chloro-4-propoxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine (PubChem CID 55124471) has the molecular formula C8H9ClF3N3O2 and a molecular weight of 271.63 g/mol. Its IUPAC name is 2-chloro-4-propoxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-propoxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
PubChem CID55124471
Molecular FormulaC8H9ClF3N3O2
Molecular Weight271.63 g/mol
Exact Mass271.03
IUPAC Name2-chloro-4-propoxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
SMILESCCCOc1nc(Cl)nc(OCC(F)(F)F)n1
InChIInChI=1S/C8H9ClF3N3O2/c1-2-3-16-6-13-5(9)14-7(15-6)17-4-8(10,11)12/h2-4H2,1H3
InChIKeyXETDHPNFBCZIAV-UHFFFAOYSA-N
XLogP2.25
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.63
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-propoxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-propoxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine (CID 55124471) is 2-chloro-4-propoxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-propoxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-propoxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine is CCCOc1nc(Cl)nc(OCC(F)(F)F)n1.
What is the InChIKey of 2-chloro-4-propoxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine?
The InChIKey is XETDHPNFBCZIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3N3O2/c1-2-3-16-6-13-5(9)14-7(15-6)17-4-8(10,11)12/h2-4H2,1H3.
What are the key properties of 2-chloro-4-propoxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine?
2-chloro-4-propoxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine has a molecular weight of 271.63 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-propoxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine is sourced from PubChem (CID 55124471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).