4-chloro-N-[(4-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine;ethane

C16H21ClF4N4O — CID 143835248

IUPAC4-chloro-N-[(4-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine;ethane
SMILESCC.CC.Fc1ccc(CNc2nc(Cl)nc(OCC(F)(F)F)n2)cc1
InChIInChI=1S/C12H9ClF4N4O.2C2H6/c13-9-19-10(18-5-7-1-3-8(14)4-2-7)21-11(20-9)22-6-12(15,16)17;2*1-2/h1-4H,5-6H2,(H,18,19,20,21);2*1-2H3
InChIKeyXRSLIKZNSBUDGB-UHFFFAOYSA-N
MW396.82 g/mol
LogP5.27
Rot. Bonds5

About 4-chloro-N-[(4-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine;ethane

4-chloro-N-[(4-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine;ethane (PubChem CID 143835248) has the molecular formula C16H21ClF4N4O and a molecular weight of 396.82 g/mol. Its IUPAC name is 4-chloro-N-[(4-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine;ethane.

Molecular Properties

Compound Name4-chloro-N-[(4-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine;ethane
PubChem CID143835248
Molecular FormulaC16H21ClF4N4O
Molecular Weight396.82 g/mol
Exact Mass396.13
IUPAC Name4-chloro-N-[(4-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine;ethane
SMILESCC.CC.Fc1ccc(CNc2nc(Cl)nc(OCC(F)(F)F)n2)cc1
InChIInChI=1S/C12H9ClF4N4O.2C2H6/c13-9-19-10(18-5-7-1-3-8(14)4-2-7)21-11(20-9)22-6-12(15,16)17;2*1-2/h1-4H,5-6H2,(H,18,19,20,21);2*1-2H3
InChIKeyXRSLIKZNSBUDGB-UHFFFAOYSA-N
XLogP5.27
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.82
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-[(4-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine;ethane 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 4-chloro-N-[(4-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine;ethane?
The IUPAC name of 4-chloro-N-[(4-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine;ethane (CID 143835248) is 4-chloro-N-[(4-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine;ethane.
What is the SMILES notation for 4-chloro-N-[(4-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine;ethane?
The canonical SMILES for 4-chloro-N-[(4-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine;ethane is CC.CC.Fc1ccc(CNc2nc(Cl)nc(OCC(F)(F)F)n2)cc1.
What is the InChIKey of 4-chloro-N-[(4-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine;ethane?
The InChIKey is XRSLIKZNSBUDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF4N4O.2C2H6/c13-9-19-10(18-5-7-1-3-8(14)4-2-7)21-11(20-9)22-6-12(15,16)17;2*1-2/h1-4H,5-6H2,(H,18,19,20,21);2*1-2H3.
What are the key properties of 4-chloro-N-[(4-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine;ethane?
4-chloro-N-[(4-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine;ethane has a molecular weight of 396.82 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine;ethane is sourced from PubChem (CID 143835248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).