6-(2,4-dichlorophenyl)-N,N-dimethyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine

C13H9Cl2F6N3O — CID 551964

IUPAC6-(2,4-dichlorophenyl)-N,N-dimethyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine
SMILESCN(C)C1=NC(C(F)(F)F)(C(F)(F)F)N=C(c2ccc(Cl)cc2Cl)O1
InChIInChI=1S/C13H9Cl2F6N3O/c1-24(2)10-23-11(12(16,17)18,13(19,20)21)22-9(25-10)7-4-3-6(14)5-8(7)15/h3-5H,1-2H3
InChIKeyUVNKNDUQIAJXRM-UHFFFAOYSA-N
MW408.13 g/mol
LogP4.51
Rot. Bonds1

About 6-(2,4-dichlorophenyl)-N,N-dimethyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine

6-(2,4-dichlorophenyl)-N,N-dimethyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine (PubChem CID 551964) has the molecular formula C13H9Cl2F6N3O and a molecular weight of 408.13 g/mol. Its IUPAC name is 6-(2,4-dichlorophenyl)-N,N-dimethyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine.

Molecular Properties

Compound Name6-(2,4-dichlorophenyl)-N,N-dimethyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine
PubChem CID551964
Molecular FormulaC13H9Cl2F6N3O
Molecular Weight408.13 g/mol
Exact Mass407.00
IUPAC Name6-(2,4-dichlorophenyl)-N,N-dimethyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine
SMILESCN(C)C1=NC(C(F)(F)F)(C(F)(F)F)N=C(c2ccc(Cl)cc2Cl)O1
InChIInChI=1S/C13H9Cl2F6N3O/c1-24(2)10-23-11(12(16,17)18,13(19,20)21)22-9(25-10)7-4-3-6(14)5-8(7)15/h3-5H,1-2H3
InChIKeyUVNKNDUQIAJXRM-UHFFFAOYSA-N
XLogP4.51
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.13
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dichlorophenyl)-N,N-dimethyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine?
The IUPAC name of 6-(2,4-dichlorophenyl)-N,N-dimethyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine (CID 551964) is 6-(2,4-dichlorophenyl)-N,N-dimethyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine.
What is the SMILES notation for 6-(2,4-dichlorophenyl)-N,N-dimethyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine?
The canonical SMILES for 6-(2,4-dichlorophenyl)-N,N-dimethyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine is CN(C)C1=NC(C(F)(F)F)(C(F)(F)F)N=C(c2ccc(Cl)cc2Cl)O1.
What is the InChIKey of 6-(2,4-dichlorophenyl)-N,N-dimethyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine?
The InChIKey is UVNKNDUQIAJXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2F6N3O/c1-24(2)10-23-11(12(16,17)18,13(19,20)21)22-9(25-10)7-4-3-6(14)5-8(7)15/h3-5H,1-2H3.
What are the key properties of 6-(2,4-dichlorophenyl)-N,N-dimethyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine?
6-(2,4-dichlorophenyl)-N,N-dimethyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine has a molecular weight of 408.13 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dichlorophenyl)-N,N-dimethyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine is sourced from PubChem (CID 551964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).