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

C14H13F3N2O2 — CID 137463000

IUPAC5-[4-(2,5-dihydrofuran-3-yl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-1,3,4-oxadiazine
SMILESFC(F)(F)c1cc(C2=NNCOC2)ccc1C1=CCOC1
InChIInChI=1S/C14H13F3N2O2/c15-14(16,17)12-5-9(13-7-21-8-18-19-13)1-2-11(12)10-3-4-20-6-10/h1-3,5,18H,4,6-8H2
InChIKeyOQCWDSMKOMEXQT-UHFFFAOYSA-N
MW298.26 g/mol
LogP2.40
Rot. Bonds2

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

5-[4-(2,5-dihydrofuran-3-yl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-1,3,4-oxadiazine (PubChem CID 137463000) has the molecular formula C14H13F3N2O2 and a molecular weight of 298.26 g/mol. Its IUPAC name is 5-[4-(2,5-dihydrofuran-3-yl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-1,3,4-oxadiazine.

Molecular Properties

Compound Name5-[4-(2,5-dihydrofuran-3-yl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-1,3,4-oxadiazine
PubChem CID137463000
Molecular FormulaC14H13F3N2O2
Molecular Weight298.26 g/mol
Exact Mass298.09
IUPAC Name5-[4-(2,5-dihydrofuran-3-yl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-1,3,4-oxadiazine
SMILESFC(F)(F)c1cc(C2=NNCOC2)ccc1C1=CCOC1
InChIInChI=1S/C14H13F3N2O2/c15-14(16,17)12-5-9(13-7-21-8-18-19-13)1-2-11(12)10-3-4-20-6-10/h1-3,5,18H,4,6-8H2
InChIKeyOQCWDSMKOMEXQT-UHFFFAOYSA-N
XLogP2.40
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,5-dihydrofuran-3-yl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-1,3,4-oxadiazine?
The IUPAC name of 5-[4-(2,5-dihydrofuran-3-yl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-1,3,4-oxadiazine (CID 137463000) is 5-[4-(2,5-dihydrofuran-3-yl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-1,3,4-oxadiazine.
What is the SMILES notation for 5-[4-(2,5-dihydrofuran-3-yl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-1,3,4-oxadiazine?
The canonical SMILES for 5-[4-(2,5-dihydrofuran-3-yl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-1,3,4-oxadiazine is FC(F)(F)c1cc(C2=NNCOC2)ccc1C1=CCOC1.
What is the InChIKey of 5-[4-(2,5-dihydrofuran-3-yl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-1,3,4-oxadiazine?
The InChIKey is OQCWDSMKOMEXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2/c15-14(16,17)12-5-9(13-7-21-8-18-19-13)1-2-11(12)10-3-4-20-6-10/h1-3,5,18H,4,6-8H2.
What are the key properties of 5-[4-(2,5-dihydrofuran-3-yl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-1,3,4-oxadiazine?
5-[4-(2,5-dihydrofuran-3-yl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-1,3,4-oxadiazine has a molecular weight of 298.26 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,5-dihydrofuran-3-yl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-1,3,4-oxadiazine is sourced from PubChem (CID 137463000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).