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

C13H10ClF6N3O — CID 15992819

IUPAC6-(4-chlorophenyl)-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)cc2)O1
InChIInChI=1S/C13H10ClF6N3O/c1-23(2)10-22-11(12(15,16)17,13(18,19)20)21-9(24-10)7-3-5-8(14)6-4-7/h3-6H,1-2H3
InChIKeyBVVKDFFJZMKOLE-UHFFFAOYSA-N
MW373.68 g/mol
LogP3.86
Rot. Bonds1

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

6-(4-chlorophenyl)-N,N-dimethyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine (PubChem CID 15992819) has the molecular formula C13H10ClF6N3O and a molecular weight of 373.68 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N,N-dimethyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N,N-dimethyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine
PubChem CID15992819
Molecular FormulaC13H10ClF6N3O
Molecular Weight373.68 g/mol
Exact Mass373.04
IUPAC Name6-(4-chlorophenyl)-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)cc2)O1
InChIInChI=1S/C13H10ClF6N3O/c1-23(2)10-22-11(12(15,16)17,13(18,19)20)21-9(24-10)7-3-5-8(14)6-4-7/h3-6H,1-2H3
InChIKeyBVVKDFFJZMKOLE-UHFFFAOYSA-N
XLogP3.86
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.68
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N,N-dimethyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine?
The IUPAC name of 6-(4-chlorophenyl)-N,N-dimethyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine (CID 15992819) is 6-(4-chlorophenyl)-N,N-dimethyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine.
What is the SMILES notation for 6-(4-chlorophenyl)-N,N-dimethyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine?
The canonical SMILES for 6-(4-chlorophenyl)-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)cc2)O1.
What is the InChIKey of 6-(4-chlorophenyl)-N,N-dimethyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine?
The InChIKey is BVVKDFFJZMKOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF6N3O/c1-23(2)10-22-11(12(15,16)17,13(18,19)20)21-9(24-10)7-3-5-8(14)6-4-7/h3-6H,1-2H3.
What are the key properties of 6-(4-chlorophenyl)-N,N-dimethyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine?
6-(4-chlorophenyl)-N,N-dimethyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine has a molecular weight of 373.68 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N,N-dimethyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine is sourced from PubChem (CID 15992819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).