3-(3,5-difluorophenyl)-5-methoxy-3,6-dihydro-2H-1,4-oxazine

C11H11F2NO2 — CID 170345775

IUPAC3-(3,5-difluorophenyl)-5-methoxy-3,6-dihydro-2H-1,4-oxazine
SMILESCOC1=NC(c2cc(F)cc(F)c2)COC1
InChIInChI=1S/C11H11F2NO2/c1-15-11-6-16-5-10(14-11)7-2-8(12)4-9(13)3-7/h2-4,10H,5-6H2,1H3
InChIKeySUJMXFJGLFVFHK-UHFFFAOYSA-N
MW227.21 g/mol
LogP2.08
Rot. Bonds1

About 3-(3,5-difluorophenyl)-5-methoxy-3,6-dihydro-2H-1,4-oxazine

3-(3,5-difluorophenyl)-5-methoxy-3,6-dihydro-2H-1,4-oxazine (PubChem CID 170345775) has the molecular formula C11H11F2NO2 and a molecular weight of 227.21 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-5-methoxy-3,6-dihydro-2H-1,4-oxazine.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-5-methoxy-3,6-dihydro-2H-1,4-oxazine
PubChem CID170345775
Molecular FormulaC11H11F2NO2
Molecular Weight227.21 g/mol
Exact Mass227.08
IUPAC Name3-(3,5-difluorophenyl)-5-methoxy-3,6-dihydro-2H-1,4-oxazine
SMILESCOC1=NC(c2cc(F)cc(F)c2)COC1
InChIInChI=1S/C11H11F2NO2/c1-15-11-6-16-5-10(14-11)7-2-8(12)4-9(13)3-7/h2-4,10H,5-6H2,1H3
InChIKeySUJMXFJGLFVFHK-UHFFFAOYSA-N
XLogP2.08
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-5-methoxy-3,6-dihydro-2H-1,4-oxazine?
The IUPAC name of 3-(3,5-difluorophenyl)-5-methoxy-3,6-dihydro-2H-1,4-oxazine (CID 170345775) is 3-(3,5-difluorophenyl)-5-methoxy-3,6-dihydro-2H-1,4-oxazine.
What is the SMILES notation for 3-(3,5-difluorophenyl)-5-methoxy-3,6-dihydro-2H-1,4-oxazine?
The canonical SMILES for 3-(3,5-difluorophenyl)-5-methoxy-3,6-dihydro-2H-1,4-oxazine is COC1=NC(c2cc(F)cc(F)c2)COC1.
What is the InChIKey of 3-(3,5-difluorophenyl)-5-methoxy-3,6-dihydro-2H-1,4-oxazine?
The InChIKey is SUJMXFJGLFVFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO2/c1-15-11-6-16-5-10(14-11)7-2-8(12)4-9(13)3-7/h2-4,10H,5-6H2,1H3.
What are the key properties of 3-(3,5-difluorophenyl)-5-methoxy-3,6-dihydro-2H-1,4-oxazine?
3-(3,5-difluorophenyl)-5-methoxy-3,6-dihydro-2H-1,4-oxazine has a molecular weight of 227.21 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-5-methoxy-3,6-dihydro-2H-1,4-oxazine is sourced from PubChem (CID 170345775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).