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

C18H17F2NO — CID 54526366

IUPAC2-(2,6-difluorophenyl)-4-(2-phenylethyl)-5,6-dihydro-4H-1,3-oxazine
SMILESFc1cccc(F)c1C1=NC(CCc2ccccc2)CCO1
InChIInChI=1S/C18H17F2NO/c19-15-7-4-8-16(20)17(15)18-21-14(11-12-22-18)10-9-13-5-2-1-3-6-13/h1-8,14H,9-12H2
InChIKeyYTJSMLJYBFRPLI-UHFFFAOYSA-N
MW301.34 g/mol
LogP4.13
Rot. Bonds4

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

2-(2,6-difluorophenyl)-4-(2-phenylethyl)-5,6-dihydro-4H-1,3-oxazine (PubChem CID 54526366) has the molecular formula C18H17F2NO and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-(2-phenylethyl)-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-(2-phenylethyl)-5,6-dihydro-4H-1,3-oxazine
PubChem CID54526366
Molecular FormulaC18H17F2NO
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name2-(2,6-difluorophenyl)-4-(2-phenylethyl)-5,6-dihydro-4H-1,3-oxazine
SMILESFc1cccc(F)c1C1=NC(CCc2ccccc2)CCO1
InChIInChI=1S/C18H17F2NO/c19-15-7-4-8-16(20)17(15)18-21-14(11-12-22-18)10-9-13-5-2-1-3-6-13/h1-8,14H,9-12H2
InChIKeyYTJSMLJYBFRPLI-UHFFFAOYSA-N
XLogP4.13
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 54.13
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-(2-phenylethyl)-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of 2-(2,6-difluorophenyl)-4-(2-phenylethyl)-5,6-dihydro-4H-1,3-oxazine (CID 54526366) is 2-(2,6-difluorophenyl)-4-(2-phenylethyl)-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-(2-phenylethyl)-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-(2-phenylethyl)-5,6-dihydro-4H-1,3-oxazine is Fc1cccc(F)c1C1=NC(CCc2ccccc2)CCO1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-(2-phenylethyl)-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is YTJSMLJYBFRPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO/c19-15-7-4-8-16(20)17(15)18-21-14(11-12-22-18)10-9-13-5-2-1-3-6-13/h1-8,14H,9-12H2.
What are the key properties of 2-(2,6-difluorophenyl)-4-(2-phenylethyl)-5,6-dihydro-4H-1,3-oxazine?
2-(2,6-difluorophenyl)-4-(2-phenylethyl)-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 301.34 g/mol, XLogP of 4.13, 4 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-(2-phenylethyl)-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 54526366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).