4-(2-chlorophenyl)-5-methoxy-2-(trifluoromethyl)-5,6-dihydro-1,3,4-oxadiazine

C11H10ClF3N2O2 — CID 174455943

IUPAC4-(2-chlorophenyl)-5-methoxy-2-(trifluoromethyl)-5,6-dihydro-1,3,4-oxadiazine
SMILESCOC1COC(C(F)(F)F)=NN1c1ccccc1Cl
InChIInChI=1S/C11H10ClF3N2O2/c1-18-9-6-19-10(11(13,14)15)16-17(9)8-5-3-2-4-7(8)12/h2-5,9H,6H2,1H3
InChIKeyUMCRPRZCMRHSRH-UHFFFAOYSA-N
MW294.66 g/mol
LogP3.02
Rot. Bonds2

About 4-(2-chlorophenyl)-5-methoxy-2-(trifluoromethyl)-5,6-dihydro-1,3,4-oxadiazine

4-(2-chlorophenyl)-5-methoxy-2-(trifluoromethyl)-5,6-dihydro-1,3,4-oxadiazine (PubChem CID 174455943) has the molecular formula C11H10ClF3N2O2 and a molecular weight of 294.66 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-5-methoxy-2-(trifluoromethyl)-5,6-dihydro-1,3,4-oxadiazine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-5-methoxy-2-(trifluoromethyl)-5,6-dihydro-1,3,4-oxadiazine
PubChem CID174455943
Molecular FormulaC11H10ClF3N2O2
Molecular Weight294.66 g/mol
Exact Mass294.04
IUPAC Name4-(2-chlorophenyl)-5-methoxy-2-(trifluoromethyl)-5,6-dihydro-1,3,4-oxadiazine
SMILESCOC1COC(C(F)(F)F)=NN1c1ccccc1Cl
InChIInChI=1S/C11H10ClF3N2O2/c1-18-9-6-19-10(11(13,14)15)16-17(9)8-5-3-2-4-7(8)12/h2-5,9H,6H2,1H3
InChIKeyUMCRPRZCMRHSRH-UHFFFAOYSA-N
XLogP3.02
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.66
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-5-methoxy-2-(trifluoromethyl)-5,6-dihydro-1,3,4-oxadiazine?
The IUPAC name of 4-(2-chlorophenyl)-5-methoxy-2-(trifluoromethyl)-5,6-dihydro-1,3,4-oxadiazine (CID 174455943) is 4-(2-chlorophenyl)-5-methoxy-2-(trifluoromethyl)-5,6-dihydro-1,3,4-oxadiazine.
What is the SMILES notation for 4-(2-chlorophenyl)-5-methoxy-2-(trifluoromethyl)-5,6-dihydro-1,3,4-oxadiazine?
The canonical SMILES for 4-(2-chlorophenyl)-5-methoxy-2-(trifluoromethyl)-5,6-dihydro-1,3,4-oxadiazine is COC1COC(C(F)(F)F)=NN1c1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenyl)-5-methoxy-2-(trifluoromethyl)-5,6-dihydro-1,3,4-oxadiazine?
The InChIKey is UMCRPRZCMRHSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N2O2/c1-18-9-6-19-10(11(13,14)15)16-17(9)8-5-3-2-4-7(8)12/h2-5,9H,6H2,1H3.
What are the key properties of 4-(2-chlorophenyl)-5-methoxy-2-(trifluoromethyl)-5,6-dihydro-1,3,4-oxadiazine?
4-(2-chlorophenyl)-5-methoxy-2-(trifluoromethyl)-5,6-dihydro-1,3,4-oxadiazine has a molecular weight of 294.66 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-5-methoxy-2-(trifluoromethyl)-5,6-dihydro-1,3,4-oxadiazine is sourced from PubChem (CID 174455943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).