2-(4-methoxyphenyl)-6-(2-methylphenyl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine

C19H14F6N2O2 — CID 6624599

IUPAC2-(4-methoxyphenyl)-6-(2-methylphenyl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine
SMILESCOc1ccc(C2=NC(C(F)(F)F)(C(F)(F)F)N=C(c3ccccc3C)O2)cc1
InChIInChI=1S/C19H14F6N2O2/c1-11-5-3-4-6-14(11)16-27-17(18(20,21)22,19(23,24)25)26-15(29-16)12-7-9-13(28-2)10-8-12/h3-10H,1-2H3
InChIKeyBMGJNNQUORQQGS-UHFFFAOYSA-N
MW416.32 g/mol
LogP5.05
Rot. Bonds3

About 2-(4-methoxyphenyl)-6-(2-methylphenyl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine

2-(4-methoxyphenyl)-6-(2-methylphenyl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine (PubChem CID 6624599) has the molecular formula C19H14F6N2O2 and a molecular weight of 416.32 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-6-(2-methylphenyl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-6-(2-methylphenyl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine
PubChem CID6624599
Molecular FormulaC19H14F6N2O2
Molecular Weight416.32 g/mol
Exact Mass416.10
IUPAC Name2-(4-methoxyphenyl)-6-(2-methylphenyl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine
SMILESCOc1ccc(C2=NC(C(F)(F)F)(C(F)(F)F)N=C(c3ccccc3C)O2)cc1
InChIInChI=1S/C19H14F6N2O2/c1-11-5-3-4-6-14(11)16-27-17(18(20,21)22,19(23,24)25)26-15(29-16)12-7-9-13(28-2)10-8-12/h3-10H,1-2H3
InChIKeyBMGJNNQUORQQGS-UHFFFAOYSA-N
XLogP5.05
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.32
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-6-(2-methylphenyl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine?
The IUPAC name of 2-(4-methoxyphenyl)-6-(2-methylphenyl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine (CID 6624599) is 2-(4-methoxyphenyl)-6-(2-methylphenyl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine.
What is the SMILES notation for 2-(4-methoxyphenyl)-6-(2-methylphenyl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine?
The canonical SMILES for 2-(4-methoxyphenyl)-6-(2-methylphenyl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine is COc1ccc(C2=NC(C(F)(F)F)(C(F)(F)F)N=C(c3ccccc3C)O2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-6-(2-methylphenyl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine?
The InChIKey is BMGJNNQUORQQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F6N2O2/c1-11-5-3-4-6-14(11)16-27-17(18(20,21)22,19(23,24)25)26-15(29-16)12-7-9-13(28-2)10-8-12/h3-10H,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-6-(2-methylphenyl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine?
2-(4-methoxyphenyl)-6-(2-methylphenyl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine has a molecular weight of 416.32 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-6-(2-methylphenyl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine is sourced from PubChem (CID 6624599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).