N,N-diethyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine

C15H15F6N3O — CID 567795

IUPACN,N-diethyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine
SMILESCCN(CC)C1=NC(C(F)(F)F)(C(F)(F)F)N=C(c2ccccc2)O1
InChIInChI=1S/C15H15F6N3O/c1-3-24(4-2)12-23-13(14(16,17)18,15(19,20)21)22-11(25-12)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKeyULCNZHKNJSTRGG-UHFFFAOYSA-N
MW367.29 g/mol
LogP3.98
Rot. Bonds3

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

N,N-diethyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine (PubChem CID 567795) has the molecular formula C15H15F6N3O and a molecular weight of 367.29 g/mol. Its IUPAC name is N,N-diethyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine.

Molecular Properties

Compound NameN,N-diethyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine
PubChem CID567795
Molecular FormulaC15H15F6N3O
Molecular Weight367.29 g/mol
Exact Mass367.11
IUPAC NameN,N-diethyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine
SMILESCCN(CC)C1=NC(C(F)(F)F)(C(F)(F)F)N=C(c2ccccc2)O1
InChIInChI=1S/C15H15F6N3O/c1-3-24(4-2)12-23-13(14(16,17)18,15(19,20)21)22-11(25-12)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKeyULCNZHKNJSTRGG-UHFFFAOYSA-N
XLogP3.98
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.29
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine?
The IUPAC name of N,N-diethyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine (CID 567795) is N,N-diethyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine.
What is the SMILES notation for N,N-diethyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine?
The canonical SMILES for N,N-diethyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine is CCN(CC)C1=NC(C(F)(F)F)(C(F)(F)F)N=C(c2ccccc2)O1.
What is the InChIKey of N,N-diethyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine?
The InChIKey is ULCNZHKNJSTRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F6N3O/c1-3-24(4-2)12-23-13(14(16,17)18,15(19,20)21)22-11(25-12)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine?
N,N-diethyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine has a molecular weight of 367.29 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine is sourced from PubChem (CID 567795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).