6-N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine

C15H19ClF2N6 — CID 166316750

IUPAC6-N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(NCC(F)(F)c2ccc(Cl)cc2)nc(N(C)C)n1
InChIInChI=1S/C15H19ClF2N6/c1-23(2)13-20-12(21-14(22-13)24(3)4)19-9-15(17,18)10-5-7-11(16)8-6-10/h5-8H,9H2,1-4H3,(H,19,20,21,22)
InChIKeySHRALSAHXUJYAH-UHFFFAOYSA-N
MW356.81 g/mol
LogP2.86
Rot. Bonds6

About 6-N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine

6-N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 166316750) has the molecular formula C15H19ClF2N6 and a molecular weight of 356.81 g/mol. Its IUPAC name is 6-N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID166316750
Molecular FormulaC15H19ClF2N6
Molecular Weight356.81 g/mol
Exact Mass356.13
IUPAC Name6-N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(NCC(F)(F)c2ccc(Cl)cc2)nc(N(C)C)n1
InChIInChI=1S/C15H19ClF2N6/c1-23(2)13-20-12(21-14(22-13)24(3)4)19-9-15(17,18)10-5-7-11(16)8-6-10/h5-8H,9H2,1-4H3,(H,19,20,21,22)
InChIKeySHRALSAHXUJYAH-UHFFFAOYSA-N
XLogP2.86
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine (CID 166316750) is 6-N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine is CN(C)c1nc(NCC(F)(F)c2ccc(Cl)cc2)nc(N(C)C)n1.
What is the InChIKey of 6-N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is SHRALSAHXUJYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClF2N6/c1-23(2)13-20-12(21-14(22-13)24(3)4)19-9-15(17,18)10-5-7-11(16)8-6-10/h5-8H,9H2,1-4H3,(H,19,20,21,22).
What are the key properties of 6-N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine?
6-N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 356.81 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 166316750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).