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

C14H13F6N3O — CID 1241274

IUPACN,N-dimethyl-6-(2-methylphenyl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine
SMILESCc1ccccc1C1=NC(C(F)(F)F)(C(F)(F)F)N=C(N(C)C)O1
InChIInChI=1S/C14H13F6N3O/c1-8-6-4-5-7-9(8)10-21-12(13(15,16)17,14(18,19)20)22-11(24-10)23(2)3/h4-7H,1-3H3
InChIKeyDVLJICJBFGYNOU-UHFFFAOYSA-N
MW353.27 g/mol
LogP3.51
Rot. Bonds1

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

N,N-dimethyl-6-(2-methylphenyl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine (PubChem CID 1241274) has the molecular formula C14H13F6N3O and a molecular weight of 353.27 g/mol. Its IUPAC name is N,N-dimethyl-6-(2-methylphenyl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-(2-methylphenyl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine
PubChem CID1241274
Molecular FormulaC14H13F6N3O
Molecular Weight353.27 g/mol
Exact Mass353.10
IUPAC NameN,N-dimethyl-6-(2-methylphenyl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine
SMILESCc1ccccc1C1=NC(C(F)(F)F)(C(F)(F)F)N=C(N(C)C)O1
InChIInChI=1S/C14H13F6N3O/c1-8-6-4-5-7-9(8)10-21-12(13(15,16)17,14(18,19)20)22-11(24-10)23(2)3/h4-7H,1-3H3
InChIKeyDVLJICJBFGYNOU-UHFFFAOYSA-N
XLogP3.51
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.27
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Phenyl-6-(piperidin-1-YL)-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazine
CID 6620776
N,N-dimethyl-6-phenyl-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazin-2-amine
CID 4175885
N,N-dimethyl-6-(4-methylphenyl)-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazin-2-amine
CID 2817906
6-(4-fluorophenyl)-N,N-dimethyl-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazin-2-amine
CID 1898424
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
dimethyl 6-phenyl-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazin-2-yldithioimidocarbonate
CID 401443
2-(2-Methylphenyl)-6-(morpholin-4-YL)-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazine
CID 2817927
6-(4-chlorophenyl)-N,N-dimethyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine
CID 15992819
2-(Diethylamino)-6-(3-fluorophenyl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine
CID 567794
2-(Diethylamino)-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine
CID 567795
2-(3-Fluorophenyl)-6-piperidino-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine
CID 574402

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-(2-methylphenyl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine?
The IUPAC name of N,N-dimethyl-6-(2-methylphenyl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine (CID 1241274) is N,N-dimethyl-6-(2-methylphenyl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine.
What is the SMILES notation for N,N-dimethyl-6-(2-methylphenyl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine?
The canonical SMILES for N,N-dimethyl-6-(2-methylphenyl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine is Cc1ccccc1C1=NC(C(F)(F)F)(C(F)(F)F)N=C(N(C)C)O1.
What is the InChIKey of N,N-dimethyl-6-(2-methylphenyl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine?
The InChIKey is DVLJICJBFGYNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F6N3O/c1-8-6-4-5-7-9(8)10-21-12(13(15,16)17,14(18,19)20)22-11(24-10)23(2)3/h4-7H,1-3H3.
What are the key properties of N,N-dimethyl-6-(2-methylphenyl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine?
N,N-dimethyl-6-(2-methylphenyl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine has a molecular weight of 353.27 g/mol, XLogP of 3.51, 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-(2-methylphenyl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine is sourced from PubChem (CID 1241274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).