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

C16H25F2NO4 — CID 177065087

IUPAC4-(2,2-difluoro-1-methoxyethyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazin-6-ol;ethane;methanol
SMILESCC.CO.COC(C(F)F)C1CC(O)OC(c2ccccc2)=N1
InChIInChI=1S/C13H15F2NO3.C2H6.CH4O/c1-18-11(12(14)15)9-7-10(17)19-13(16-9)8-5-3-2-4-6-8;2*1-2/h2-6,9-12,17H,7H2,1H3;1-2H3;2H,1H3
InChIKeyBHAWSHNWRQQTHM-UHFFFAOYSA-N
MW333.38 g/mol
LogP2.46
Rot. Bonds4

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

4-(2,2-difluoro-1-methoxyethyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazin-6-ol;ethane;methanol (PubChem CID 177065087) has the molecular formula C16H25F2NO4 and a molecular weight of 333.38 g/mol. Its IUPAC name is 4-(2,2-difluoro-1-methoxyethyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazin-6-ol;ethane;methanol.

Molecular Properties

Compound Name4-(2,2-difluoro-1-methoxyethyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazin-6-ol;ethane;methanol
PubChem CID177065087
Molecular FormulaC16H25F2NO4
Molecular Weight333.38 g/mol
Exact Mass333.18
IUPAC Name4-(2,2-difluoro-1-methoxyethyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazin-6-ol;ethane;methanol
SMILESCC.CO.COC(C(F)F)C1CC(O)OC(c2ccccc2)=N1
InChIInChI=1S/C13H15F2NO3.C2H6.CH4O/c1-18-11(12(14)15)9-7-10(17)19-13(16-9)8-5-3-2-4-6-8;2*1-2/h2-6,9-12,17H,7H2,1H3;1-2H3;2H,1H3
InChIKeyBHAWSHNWRQQTHM-UHFFFAOYSA-N
XLogP2.46
TPSA71.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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;ethane;methanol?
The IUPAC name of 4-(2,2-difluoro-1-methoxyethyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazin-6-ol;ethane;methanol (CID 177065087) is 4-(2,2-difluoro-1-methoxyethyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazin-6-ol;ethane;methanol.
What is the SMILES notation for 4-(2,2-difluoro-1-methoxyethyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazin-6-ol;ethane;methanol?
The canonical SMILES for 4-(2,2-difluoro-1-methoxyethyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazin-6-ol;ethane;methanol is CC.CO.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;ethane;methanol?
The InChIKey is BHAWSHNWRQQTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO3.C2H6.CH4O/c1-18-11(12(14)15)9-7-10(17)19-13(16-9)8-5-3-2-4-6-8;2*1-2/h2-6,9-12,17H,7H2,1H3;1-2H3;2H,1H3.
What are the key properties of 4-(2,2-difluoro-1-methoxyethyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazin-6-ol;ethane;methanol?
4-(2,2-difluoro-1-methoxyethyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazin-6-ol;ethane;methanol has a molecular weight of 333.38 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 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;ethane;methanol is sourced from PubChem (CID 177065087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).