5-[4-(2-fluorophenyl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-1,3,4-oxadiazine

C16H12F4N2O — CID 137462845

IUPAC5-[4-(2-fluorophenyl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-1,3,4-oxadiazine
SMILESFc1ccccc1-c1ccc(C2=NNCOC2)cc1C(F)(F)F
InChIInChI=1S/C16H12F4N2O/c17-14-4-2-1-3-12(14)11-6-5-10(7-13(11)16(18,19)20)15-8-23-9-21-22-15/h1-7,21H,8-9H2
InChIKeyYQESZZJHBWUCKR-UHFFFAOYSA-N
MW324.28 g/mol
LogP3.79
Rot. Bonds2

About 5-[4-(2-fluorophenyl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-1,3,4-oxadiazine

5-[4-(2-fluorophenyl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-1,3,4-oxadiazine (PubChem CID 137462845) has the molecular formula C16H12F4N2O and a molecular weight of 324.28 g/mol. Its IUPAC name is 5-[4-(2-fluorophenyl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-1,3,4-oxadiazine.

Molecular Properties

Compound Name5-[4-(2-fluorophenyl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-1,3,4-oxadiazine
PubChem CID137462845
Molecular FormulaC16H12F4N2O
Molecular Weight324.28 g/mol
Exact Mass324.09
IUPAC Name5-[4-(2-fluorophenyl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-1,3,4-oxadiazine
SMILESFc1ccccc1-c1ccc(C2=NNCOC2)cc1C(F)(F)F
InChIInChI=1S/C16H12F4N2O/c17-14-4-2-1-3-12(14)11-6-5-10(7-13(11)16(18,19)20)15-8-23-9-21-22-15/h1-7,21H,8-9H2
InChIKeyYQESZZJHBWUCKR-UHFFFAOYSA-N
XLogP3.79
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.28
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-fluorophenyl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-1,3,4-oxadiazine?
The IUPAC name of 5-[4-(2-fluorophenyl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-1,3,4-oxadiazine (CID 137462845) is 5-[4-(2-fluorophenyl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-1,3,4-oxadiazine.
What is the SMILES notation for 5-[4-(2-fluorophenyl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-1,3,4-oxadiazine?
The canonical SMILES for 5-[4-(2-fluorophenyl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-1,3,4-oxadiazine is Fc1ccccc1-c1ccc(C2=NNCOC2)cc1C(F)(F)F.
What is the InChIKey of 5-[4-(2-fluorophenyl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-1,3,4-oxadiazine?
The InChIKey is YQESZZJHBWUCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4N2O/c17-14-4-2-1-3-12(14)11-6-5-10(7-13(11)16(18,19)20)15-8-23-9-21-22-15/h1-7,21H,8-9H2.
What are the key properties of 5-[4-(2-fluorophenyl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-1,3,4-oxadiazine?
5-[4-(2-fluorophenyl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-1,3,4-oxadiazine has a molecular weight of 324.28 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-fluorophenyl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-1,3,4-oxadiazine is sourced from PubChem (CID 137462845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).