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

C11H9F6N3O2 — CID 685021

IUPAC6-(furan-2-yl)-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(c2ccco2)O1
InChIInChI=1S/C11H9F6N3O2/c1-20(2)8-19-9(10(12,13)14,11(15,16)17)18-7(22-8)6-4-3-5-21-6/h3-5H,1-2H3
InChIKeyMEGFKTRAAMPPEW-UHFFFAOYSA-N
MW329.20 g/mol
LogP2.79
Rot. Bonds1

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

6-(furan-2-yl)-N,N-dimethyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine (PubChem CID 685021) has the molecular formula C11H9F6N3O2 and a molecular weight of 329.20 g/mol. Its IUPAC name is 6-(furan-2-yl)-N,N-dimethyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine.

Molecular Properties

Compound Name6-(furan-2-yl)-N,N-dimethyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine
PubChem CID685021
Molecular FormulaC11H9F6N3O2
Molecular Weight329.20 g/mol
Exact Mass329.06
IUPAC Name6-(furan-2-yl)-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(c2ccco2)O1
InChIInChI=1S/C11H9F6N3O2/c1-20(2)8-19-9(10(12,13)14,11(15,16)17)18-7(22-8)6-4-3-5-21-6/h3-5H,1-2H3
InChIKeyMEGFKTRAAMPPEW-UHFFFAOYSA-N
XLogP2.79
TPSA50.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-N,N-dimethyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine?
The IUPAC name of 6-(furan-2-yl)-N,N-dimethyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine (CID 685021) is 6-(furan-2-yl)-N,N-dimethyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine.
What is the SMILES notation for 6-(furan-2-yl)-N,N-dimethyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine?
The canonical SMILES for 6-(furan-2-yl)-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(c2ccco2)O1.
What is the InChIKey of 6-(furan-2-yl)-N,N-dimethyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine?
The InChIKey is MEGFKTRAAMPPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F6N3O2/c1-20(2)8-19-9(10(12,13)14,11(15,16)17)18-7(22-8)6-4-3-5-21-6/h3-5H,1-2H3.
What are the key properties of 6-(furan-2-yl)-N,N-dimethyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine?
6-(furan-2-yl)-N,N-dimethyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine has a molecular weight of 329.20 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-N,N-dimethyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine is sourced from PubChem (CID 685021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).