2-[3-(difluoromethyl)phenyl]-4-(2,2,2-trifluoro-1-methoxyethyl)-5,6-dihydro-4H-1,3-oxazin-6-ol;methanol

C15H18F5NO4 — CID 177065071

IUPAC2-[3-(difluoromethyl)phenyl]-4-(2,2,2-trifluoro-1-methoxyethyl)-5,6-dihydro-4H-1,3-oxazin-6-ol;methanol
SMILESCO.COC(C1CC(O)OC(c2cccc(C(F)F)c2)=N1)C(F)(F)F
InChIInChI=1S/C14H14F5NO3.CH4O/c1-22-11(14(17,18)19)9-6-10(21)23-13(20-9)8-4-2-3-7(5-8)12(15)16;1-2/h2-5,9-12,21H,6H2,1H3;2H,1H3
InChIKeyPAXONVOSFSVRAR-UHFFFAOYSA-N
MW371.30 g/mol
LogP2.66
Rot. Bonds4

About 2-[3-(difluoromethyl)phenyl]-4-(2,2,2-trifluoro-1-methoxyethyl)-5,6-dihydro-4H-1,3-oxazin-6-ol;methanol

2-[3-(difluoromethyl)phenyl]-4-(2,2,2-trifluoro-1-methoxyethyl)-5,6-dihydro-4H-1,3-oxazin-6-ol;methanol (PubChem CID 177065071) has the molecular formula C15H18F5NO4 and a molecular weight of 371.30 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)phenyl]-4-(2,2,2-trifluoro-1-methoxyethyl)-5,6-dihydro-4H-1,3-oxazin-6-ol;methanol.

Molecular Properties

Compound Name2-[3-(difluoromethyl)phenyl]-4-(2,2,2-trifluoro-1-methoxyethyl)-5,6-dihydro-4H-1,3-oxazin-6-ol;methanol
PubChem CID177065071
Molecular FormulaC15H18F5NO4
Molecular Weight371.30 g/mol
Exact Mass371.12
IUPAC Name2-[3-(difluoromethyl)phenyl]-4-(2,2,2-trifluoro-1-methoxyethyl)-5,6-dihydro-4H-1,3-oxazin-6-ol;methanol
SMILESCO.COC(C1CC(O)OC(c2cccc(C(F)F)c2)=N1)C(F)(F)F
InChIInChI=1S/C14H14F5NO3.CH4O/c1-22-11(14(17,18)19)9-6-10(21)23-13(20-9)8-4-2-3-7(5-8)12(15)16;1-2/h2-5,9-12,21H,6H2,1H3;2H,1H3
InChIKeyPAXONVOSFSVRAR-UHFFFAOYSA-N
XLogP2.66
TPSA71.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.30
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)phenyl]-4-(2,2,2-trifluoro-1-methoxyethyl)-5,6-dihydro-4H-1,3-oxazin-6-ol;methanol?
The IUPAC name of 2-[3-(difluoromethyl)phenyl]-4-(2,2,2-trifluoro-1-methoxyethyl)-5,6-dihydro-4H-1,3-oxazin-6-ol;methanol (CID 177065071) is 2-[3-(difluoromethyl)phenyl]-4-(2,2,2-trifluoro-1-methoxyethyl)-5,6-dihydro-4H-1,3-oxazin-6-ol;methanol.
What is the SMILES notation for 2-[3-(difluoromethyl)phenyl]-4-(2,2,2-trifluoro-1-methoxyethyl)-5,6-dihydro-4H-1,3-oxazin-6-ol;methanol?
The canonical SMILES for 2-[3-(difluoromethyl)phenyl]-4-(2,2,2-trifluoro-1-methoxyethyl)-5,6-dihydro-4H-1,3-oxazin-6-ol;methanol is CO.COC(C1CC(O)OC(c2cccc(C(F)F)c2)=N1)C(F)(F)F.
What is the InChIKey of 2-[3-(difluoromethyl)phenyl]-4-(2,2,2-trifluoro-1-methoxyethyl)-5,6-dihydro-4H-1,3-oxazin-6-ol;methanol?
The InChIKey is PAXONVOSFSVRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F5NO3.CH4O/c1-22-11(14(17,18)19)9-6-10(21)23-13(20-9)8-4-2-3-7(5-8)12(15)16;1-2/h2-5,9-12,21H,6H2,1H3;2H,1H3.
What are the key properties of 2-[3-(difluoromethyl)phenyl]-4-(2,2,2-trifluoro-1-methoxyethyl)-5,6-dihydro-4H-1,3-oxazin-6-ol;methanol?
2-[3-(difluoromethyl)phenyl]-4-(2,2,2-trifluoro-1-methoxyethyl)-5,6-dihydro-4H-1,3-oxazin-6-ol;methanol has a molecular weight of 371.30 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)phenyl]-4-(2,2,2-trifluoro-1-methoxyethyl)-5,6-dihydro-4H-1,3-oxazin-6-ol;methanol is sourced from PubChem (CID 177065071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).