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

C17H15F2NO — CID 54068833

IUPAC2-(2,6-difluorophenyl)-4-methyl-6-phenyl-5,6-dihydro-4H-1,3-oxazine
SMILESCC1CC(c2ccccc2)OC(c2c(F)cccc2F)=N1
InChIInChI=1S/C17H15F2NO/c1-11-10-15(12-6-3-2-4-7-12)21-17(20-11)16-13(18)8-5-9-14(16)19/h2-9,11,15H,10H2,1H3
InChIKeyMEYSREVBUVKVIP-UHFFFAOYSA-N
MW287.31 g/mol
LogP4.26
Rot. Bonds2

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

2-(2,6-difluorophenyl)-4-methyl-6-phenyl-5,6-dihydro-4H-1,3-oxazine (PubChem CID 54068833) has the molecular formula C17H15F2NO and a molecular weight of 287.31 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-methyl-6-phenyl-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-methyl-6-phenyl-5,6-dihydro-4H-1,3-oxazine
PubChem CID54068833
Molecular FormulaC17H15F2NO
Molecular Weight287.31 g/mol
Exact Mass287.11
IUPAC Name2-(2,6-difluorophenyl)-4-methyl-6-phenyl-5,6-dihydro-4H-1,3-oxazine
SMILESCC1CC(c2ccccc2)OC(c2c(F)cccc2F)=N1
InChIInChI=1S/C17H15F2NO/c1-11-10-15(12-6-3-2-4-7-12)21-17(20-11)16-13(18)8-5-9-14(16)19/h2-9,11,15H,10H2,1H3
InChIKeyMEYSREVBUVKVIP-UHFFFAOYSA-N
XLogP4.26
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-methyl-6-phenyl-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of 2-(2,6-difluorophenyl)-4-methyl-6-phenyl-5,6-dihydro-4H-1,3-oxazine (CID 54068833) is 2-(2,6-difluorophenyl)-4-methyl-6-phenyl-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-methyl-6-phenyl-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-methyl-6-phenyl-5,6-dihydro-4H-1,3-oxazine is CC1CC(c2ccccc2)OC(c2c(F)cccc2F)=N1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-methyl-6-phenyl-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is MEYSREVBUVKVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO/c1-11-10-15(12-6-3-2-4-7-12)21-17(20-11)16-13(18)8-5-9-14(16)19/h2-9,11,15H,10H2,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-4-methyl-6-phenyl-5,6-dihydro-4H-1,3-oxazine?
2-(2,6-difluorophenyl)-4-methyl-6-phenyl-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 287.31 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-methyl-6-phenyl-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 54068833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).