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

C15H19F4NO4 — CID 177065063

IUPAC4-(2-fluoro-1-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-oxazin-6-ol;methanol
SMILESCO.COC(CF)C1CC(O)OC(c2cccc(C(F)(F)F)c2)=N1
InChIInChI=1S/C14H15F4NO3.CH4O/c1-21-11(7-15)10-6-12(20)22-13(19-10)8-3-2-4-9(5-8)14(16,17)18;1-2/h2-5,10-12,20H,6-7H2,1H3;2H,1H3
InChIKeyBELAHAPJVWJTQX-UHFFFAOYSA-N
MW353.31 g/mol
LogP2.15
Rot. Bonds4

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

4-(2-fluoro-1-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-oxazin-6-ol;methanol (PubChem CID 177065063) has the molecular formula C15H19F4NO4 and a molecular weight of 353.31 g/mol. Its IUPAC name is 4-(2-fluoro-1-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-oxazin-6-ol;methanol.

Molecular Properties

Compound Name4-(2-fluoro-1-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-oxazin-6-ol;methanol
PubChem CID177065063
Molecular FormulaC15H19F4NO4
Molecular Weight353.31 g/mol
Exact Mass353.13
IUPAC Name4-(2-fluoro-1-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-oxazin-6-ol;methanol
SMILESCO.COC(CF)C1CC(O)OC(c2cccc(C(F)(F)F)c2)=N1
InChIInChI=1S/C14H15F4NO3.CH4O/c1-21-11(7-15)10-6-12(20)22-13(19-10)8-3-2-4-9(5-8)14(16,17)18;1-2/h2-5,10-12,20H,6-7H2,1H3;2H,1H3
InChIKeyBELAHAPJVWJTQX-UHFFFAOYSA-N
XLogP2.15
TPSA71.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.31
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(2-fluoro-1-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-oxazin-6-ol;methanol with MolForge

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Related Compounds

2-[3-(trifluoromethyl)phenyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-amine
CID 115066299
2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 67984069
2-[3-(trifluoromethyl)phenyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[4,5-c]pyridine
CID 115065495
ethyl 2-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxylate
CID 150465192
(5S,7R)-7-methyl-3-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydrocinnolin-5-ol
CID 68839823
dihydroxy-methoxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane
CID 90171711
methyl 2-amino-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 134634074
5-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine
CID 162568225
cyclopropylmethyl 2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate
CID 159585997
trihydroxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane
CID 90174149
methyl 2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 69039624
[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methanol
CID 24729851

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-1-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-oxazin-6-ol;methanol?
The IUPAC name of 4-(2-fluoro-1-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-oxazin-6-ol;methanol (CID 177065063) is 4-(2-fluoro-1-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-oxazin-6-ol;methanol.
What is the SMILES notation for 4-(2-fluoro-1-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-oxazin-6-ol;methanol?
The canonical SMILES for 4-(2-fluoro-1-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-oxazin-6-ol;methanol is CO.COC(CF)C1CC(O)OC(c2cccc(C(F)(F)F)c2)=N1.
What is the InChIKey of 4-(2-fluoro-1-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-oxazin-6-ol;methanol?
The InChIKey is BELAHAPJVWJTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F4NO3.CH4O/c1-21-11(7-15)10-6-12(20)22-13(19-10)8-3-2-4-9(5-8)14(16,17)18;1-2/h2-5,10-12,20H,6-7H2,1H3;2H,1H3.
What are the key properties of 4-(2-fluoro-1-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-oxazin-6-ol;methanol?
4-(2-fluoro-1-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-oxazin-6-ol;methanol has a molecular weight of 353.31 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-1-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-oxazin-6-ol;methanol is sourced from PubChem (CID 177065063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).