4-(2,2-difluoro-1-methoxyethyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazin-6-ol

C13H15F2NO3 — CID 177065088

IUPAC4-(2,2-difluoro-1-methoxyethyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazin-6-ol
SMILESCOC(C(F)F)C1CC(O)OC(c2ccccc2)=N1
InChIInChI=1S/C13H15F2NO3/c1-18-11(12(14)15)9-7-10(17)19-13(16-9)8-5-3-2-4-6-8/h2-6,9-12,17H,7H2,1H3
InChIKeyKGRARTZPULUNFE-UHFFFAOYSA-N
MW271.26 g/mol
LogP1.82
Rot. Bonds4

About 4-(2,2-difluoro-1-methoxyethyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazin-6-ol

4-(2,2-difluoro-1-methoxyethyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazin-6-ol (PubChem CID 177065088) has the molecular formula C13H15F2NO3 and a molecular weight of 271.26 g/mol. Its IUPAC name is 4-(2,2-difluoro-1-methoxyethyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazin-6-ol.

Molecular Properties

Compound Name4-(2,2-difluoro-1-methoxyethyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazin-6-ol
PubChem CID177065088
Molecular FormulaC13H15F2NO3
Molecular Weight271.26 g/mol
Exact Mass271.10
IUPAC Name4-(2,2-difluoro-1-methoxyethyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazin-6-ol
SMILESCOC(C(F)F)C1CC(O)OC(c2ccccc2)=N1
InChIInChI=1S/C13H15F2NO3/c1-18-11(12(14)15)9-7-10(17)19-13(16-9)8-5-3-2-4-6-8/h2-6,9-12,17H,7H2,1H3
InChIKeyKGRARTZPULUNFE-UHFFFAOYSA-N
XLogP1.82
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoro-1-methoxyethyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazin-6-ol?
The IUPAC name of 4-(2,2-difluoro-1-methoxyethyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazin-6-ol (CID 177065088) is 4-(2,2-difluoro-1-methoxyethyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazin-6-ol.
What is the SMILES notation for 4-(2,2-difluoro-1-methoxyethyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazin-6-ol?
The canonical SMILES for 4-(2,2-difluoro-1-methoxyethyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazin-6-ol is COC(C(F)F)C1CC(O)OC(c2ccccc2)=N1.
What is the InChIKey of 4-(2,2-difluoro-1-methoxyethyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazin-6-ol?
The InChIKey is KGRARTZPULUNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO3/c1-18-11(12(14)15)9-7-10(17)19-13(16-9)8-5-3-2-4-6-8/h2-6,9-12,17H,7H2,1H3.
What are the key properties of 4-(2,2-difluoro-1-methoxyethyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazin-6-ol?
4-(2,2-difluoro-1-methoxyethyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazin-6-ol has a molecular weight of 271.26 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoro-1-methoxyethyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazin-6-ol is sourced from PubChem (CID 177065088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).