6-chloro-2-N,2-N-diethyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine

C9H13ClF3N5 — CID 62869896

IUPAC6-chloro-2-N,2-N-diethyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Cl)nc(NCC(F)(F)F)n1
InChIInChI=1S/C9H13ClF3N5/c1-3-18(4-2)8-16-6(10)15-7(17-8)14-5-9(11,12)13/h3-5H2,1-2H3,(H,14,15,16,17)
InChIKeyMQNBNNJXEBSJLR-UHFFFAOYSA-N
MW283.69 g/mol
LogP2.35
Rot. Bonds5

About 6-chloro-2-N,2-N-diethyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine

6-chloro-2-N,2-N-diethyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 62869896) has the molecular formula C9H13ClF3N5 and a molecular weight of 283.69 g/mol. Its IUPAC name is 6-chloro-2-N,2-N-diethyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,2-N-diethyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
PubChem CID62869896
Molecular FormulaC9H13ClF3N5
Molecular Weight283.69 g/mol
Exact Mass283.08
IUPAC Name6-chloro-2-N,2-N-diethyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Cl)nc(NCC(F)(F)F)n1
InChIInChI=1S/C9H13ClF3N5/c1-3-18(4-2)8-16-6(10)15-7(17-8)14-5-9(11,12)13/h3-5H2,1-2H3,(H,14,15,16,17)
InChIKeyMQNBNNJXEBSJLR-UHFFFAOYSA-N
XLogP2.35
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.69
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,2-N-diethyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,2-N-diethyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine (CID 62869896) is 6-chloro-2-N,2-N-diethyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,2-N-diethyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,2-N-diethyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(Cl)nc(NCC(F)(F)F)n1.
What is the InChIKey of 6-chloro-2-N,2-N-diethyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is MQNBNNJXEBSJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClF3N5/c1-3-18(4-2)8-16-6(10)15-7(17-8)14-5-9(11,12)13/h3-5H2,1-2H3,(H,14,15,16,17).
What are the key properties of 6-chloro-2-N,2-N-diethyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,2-N-diethyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 283.69 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,2-N-diethyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 62869896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).