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

C5H3Cl2F2N3O — CID 82004970

IUPAC2,4-dichloro-6-(2,2-difluoroethoxy)-1,3,5-triazine
SMILESFC(F)COc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C5H3Cl2F2N3O/c6-3-10-4(7)12-5(11-3)13-1-2(8)9/h2H,1H2
InChIKeyJGKFUXANKMVPML-UHFFFAOYSA-N
MW230.00 g/mol
LogP1.82
Rot. Bonds3

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

2,4-dichloro-6-(2,2-difluoroethoxy)-1,3,5-triazine (PubChem CID 82004970) has the molecular formula C5H3Cl2F2N3O and a molecular weight of 230.00 g/mol. Its IUPAC name is 2,4-dichloro-6-(2,2-difluoroethoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-(2,2-difluoroethoxy)-1,3,5-triazine
PubChem CID82004970
Molecular FormulaC5H3Cl2F2N3O
Molecular Weight230.00 g/mol
Exact Mass228.96
IUPAC Name2,4-dichloro-6-(2,2-difluoroethoxy)-1,3,5-triazine
SMILESFC(F)COc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C5H3Cl2F2N3O/c6-3-10-4(7)12-5(11-3)13-1-2(8)9/h2H,1H2
InChIKeyJGKFUXANKMVPML-UHFFFAOYSA-N
XLogP1.82
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.00
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,4-dichloro-6-(2,2-difluoroethoxy)-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(2,2-difluoroethoxy)-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-(2,2-difluoroethoxy)-1,3,5-triazine (CID 82004970) is 2,4-dichloro-6-(2,2-difluoroethoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-(2,2-difluoroethoxy)-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-(2,2-difluoroethoxy)-1,3,5-triazine is FC(F)COc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2,4-dichloro-6-(2,2-difluoroethoxy)-1,3,5-triazine?
The InChIKey is JGKFUXANKMVPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl2F2N3O/c6-3-10-4(7)12-5(11-3)13-1-2(8)9/h2H,1H2.
What are the key properties of 2,4-dichloro-6-(2,2-difluoroethoxy)-1,3,5-triazine?
2,4-dichloro-6-(2,2-difluoroethoxy)-1,3,5-triazine has a molecular weight of 230.00 g/mol, XLogP of 1.82, 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-(2,2-difluoroethoxy)-1,3,5-triazine is sourced from PubChem (CID 82004970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).