2-(2-fluorophenyl)-4,4,6-tris(trifluoromethyl)-1,3,5-oxadiazine

C12H4F10N2O — CID 18671292

IUPAC2-(2-fluorophenyl)-4,4,6-tris(trifluoromethyl)-1,3,5-oxadiazine
SMILESFc1ccccc1C1=NC(C(F)(F)F)(C(F)(F)F)N=C(C(F)(F)F)O1
InChIInChI=1S/C12H4F10N2O/c13-6-4-2-1-3-5(6)7-23-10(11(17,18)19,12(20,21)22)24-8(25-7)9(14,15)16/h1-4H
InChIKeyNTKNPCYBICNUFO-UHFFFAOYSA-N
MW382.16 g/mol
LogP4.38
Rot. Bonds1

About 2-(2-fluorophenyl)-4,4,6-tris(trifluoromethyl)-1,3,5-oxadiazine

2-(2-fluorophenyl)-4,4,6-tris(trifluoromethyl)-1,3,5-oxadiazine (PubChem CID 18671292) has the molecular formula C12H4F10N2O and a molecular weight of 382.16 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4,4,6-tris(trifluoromethyl)-1,3,5-oxadiazine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4,4,6-tris(trifluoromethyl)-1,3,5-oxadiazine
PubChem CID18671292
Molecular FormulaC12H4F10N2O
Molecular Weight382.16 g/mol
Exact Mass382.02
IUPAC Name2-(2-fluorophenyl)-4,4,6-tris(trifluoromethyl)-1,3,5-oxadiazine
SMILESFc1ccccc1C1=NC(C(F)(F)F)(C(F)(F)F)N=C(C(F)(F)F)O1
InChIInChI=1S/C12H4F10N2O/c13-6-4-2-1-3-5(6)7-23-10(11(17,18)19,12(20,21)22)24-8(25-7)9(14,15)16/h1-4H
InChIKeyNTKNPCYBICNUFO-UHFFFAOYSA-N
XLogP4.38
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.16
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-4,4,6-tris(trifluoromethyl)-1,3,5-oxadiazine?
The IUPAC name of 2-(2-fluorophenyl)-4,4,6-tris(trifluoromethyl)-1,3,5-oxadiazine (CID 18671292) is 2-(2-fluorophenyl)-4,4,6-tris(trifluoromethyl)-1,3,5-oxadiazine.
What is the SMILES notation for 2-(2-fluorophenyl)-4,4,6-tris(trifluoromethyl)-1,3,5-oxadiazine?
The canonical SMILES for 2-(2-fluorophenyl)-4,4,6-tris(trifluoromethyl)-1,3,5-oxadiazine is Fc1ccccc1C1=NC(C(F)(F)F)(C(F)(F)F)N=C(C(F)(F)F)O1.
What is the InChIKey of 2-(2-fluorophenyl)-4,4,6-tris(trifluoromethyl)-1,3,5-oxadiazine?
The InChIKey is NTKNPCYBICNUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4F10N2O/c13-6-4-2-1-3-5(6)7-23-10(11(17,18)19,12(20,21)22)24-8(25-7)9(14,15)16/h1-4H.
What are the key properties of 2-(2-fluorophenyl)-4,4,6-tris(trifluoromethyl)-1,3,5-oxadiazine?
2-(2-fluorophenyl)-4,4,6-tris(trifluoromethyl)-1,3,5-oxadiazine has a molecular weight of 382.16 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-4,4,6-tris(trifluoromethyl)-1,3,5-oxadiazine is sourced from PubChem (CID 18671292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).