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

C13H11F6N3O — CID 4175885

IUPACN,N-dimethyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine
SMILESCN(C)C1=NC(C(F)(F)F)(C(F)(F)F)N=C(c2ccccc2)O1
InChIInChI=1S/C13H11F6N3O/c1-22(2)10-21-11(12(14,15)16,13(17,18)19)20-9(23-10)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyKXAWNNOWEZDPPN-UHFFFAOYSA-N
MW339.24 g/mol
LogP3.20
Rot. Bonds1

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

N,N-dimethyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine (PubChem CID 4175885) has the molecular formula C13H11F6N3O and a molecular weight of 339.24 g/mol. Its IUPAC name is N,N-dimethyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine
PubChem CID4175885
Molecular FormulaC13H11F6N3O
Molecular Weight339.24 g/mol
Exact Mass339.08
IUPAC NameN,N-dimethyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine
SMILESCN(C)C1=NC(C(F)(F)F)(C(F)(F)F)N=C(c2ccccc2)O1
InChIInChI=1S/C13H11F6N3O/c1-22(2)10-21-11(12(14,15)16,13(17,18)19)20-9(23-10)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyKXAWNNOWEZDPPN-UHFFFAOYSA-N
XLogP3.20
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-(dimethylamino)-6-(2-fluorophenyl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate
CID 625601
2-Phenyl-6-(piperidin-1-YL)-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazine
CID 6620776
N,N-dimethyl-6-(2-methylphenyl)-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazin-2-amine
CID 1241274
2-Phenyl-4,4-bis(trifluoromethyl)-5-dimethylamino-2-oxazoline
CID 13862885
N,N-dimethyl-6-(4-methylphenyl)-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazin-2-amine
CID 2817906
6-(2,4-dichlorophenyl)-N,N-dimethyl-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazin-2-amine
CID 551964
2-Morpholino-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine
CID 575065
6-(4-fluorophenyl)-N,N-dimethyl-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazin-2-amine
CID 1898424
6-(3-chlorophenyl)-N,N-diethyl-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazin-2-amine
CID 1899230
5-(3-fluorophenyl)-N,3-dimethyl-1,3,4-oxadiazol-2-imine
CID 15733515
5-(4-fluorophenyl)-N,3-dimethyl-1,3,4-oxadiazol-2-imine
CID 15733516
4-diethoxyphosphoryl-N,N-dimethyl-6-phenyl-4-(trifluoromethyl)-1,3,5-oxadiazin-2-amine
CID 45127268

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine?
The IUPAC name of N,N-dimethyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine (CID 4175885) is N,N-dimethyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine.
What is the SMILES notation for N,N-dimethyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine?
The canonical SMILES for N,N-dimethyl-6-phenyl-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(c2ccccc2)O1.
What is the InChIKey of N,N-dimethyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine?
The InChIKey is KXAWNNOWEZDPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F6N3O/c1-22(2)10-21-11(12(14,15)16,13(17,18)19)20-9(23-10)8-6-4-3-5-7-8/h3-7H,1-2H3.
What are the key properties of N,N-dimethyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine?
N,N-dimethyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine has a molecular weight of 339.24 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine is sourced from PubChem (CID 4175885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).