5-ethyl-3-(4-hydroxyphenyl)-5-methyl-2,2-bis(trifluoromethyl)-1,3-oxazinan-4-one

C15H15F6NO3 — CID 146439381

IUPAC5-ethyl-3-(4-hydroxyphenyl)-5-methyl-2,2-bis(trifluoromethyl)-1,3-oxazinan-4-one
SMILESCCC1(C)COC(C(F)(F)F)(C(F)(F)F)N(c2ccc(O)cc2)C1=O
InChIInChI=1S/C15H15F6NO3/c1-3-12(2)8-25-13(14(16,17)18,15(19,20)21)22(11(12)24)9-4-6-10(23)7-5-9/h4-7,23H,3,8H2,1-2H3
InChIKeyFHGIHNPRZIGWCZ-UHFFFAOYSA-N
MW371.28 g/mol
LogP3.99
Rot. Bonds2

About 5-ethyl-3-(4-hydroxyphenyl)-5-methyl-2,2-bis(trifluoromethyl)-1,3-oxazinan-4-one

5-ethyl-3-(4-hydroxyphenyl)-5-methyl-2,2-bis(trifluoromethyl)-1,3-oxazinan-4-one (PubChem CID 146439381) has the molecular formula C15H15F6NO3 and a molecular weight of 371.28 g/mol. Its IUPAC name is 5-ethyl-3-(4-hydroxyphenyl)-5-methyl-2,2-bis(trifluoromethyl)-1,3-oxazinan-4-one.

Molecular Properties

Compound Name5-ethyl-3-(4-hydroxyphenyl)-5-methyl-2,2-bis(trifluoromethyl)-1,3-oxazinan-4-one
PubChem CID146439381
Molecular FormulaC15H15F6NO3
Molecular Weight371.28 g/mol
Exact Mass371.10
IUPAC Name5-ethyl-3-(4-hydroxyphenyl)-5-methyl-2,2-bis(trifluoromethyl)-1,3-oxazinan-4-one
SMILESCCC1(C)COC(C(F)(F)F)(C(F)(F)F)N(c2ccc(O)cc2)C1=O
InChIInChI=1S/C15H15F6NO3/c1-3-12(2)8-25-13(14(16,17)18,15(19,20)21)22(11(12)24)9-4-6-10(23)7-5-9/h4-7,23H,3,8H2,1-2H3
InChIKeyFHGIHNPRZIGWCZ-UHFFFAOYSA-N
XLogP3.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(4-hydroxyphenyl)-5-methyl-2,2-bis(trifluoromethyl)-1,3-oxazinan-4-one?
The IUPAC name of 5-ethyl-3-(4-hydroxyphenyl)-5-methyl-2,2-bis(trifluoromethyl)-1,3-oxazinan-4-one (CID 146439381) is 5-ethyl-3-(4-hydroxyphenyl)-5-methyl-2,2-bis(trifluoromethyl)-1,3-oxazinan-4-one.
What is the SMILES notation for 5-ethyl-3-(4-hydroxyphenyl)-5-methyl-2,2-bis(trifluoromethyl)-1,3-oxazinan-4-one?
The canonical SMILES for 5-ethyl-3-(4-hydroxyphenyl)-5-methyl-2,2-bis(trifluoromethyl)-1,3-oxazinan-4-one is CCC1(C)COC(C(F)(F)F)(C(F)(F)F)N(c2ccc(O)cc2)C1=O.
What is the InChIKey of 5-ethyl-3-(4-hydroxyphenyl)-5-methyl-2,2-bis(trifluoromethyl)-1,3-oxazinan-4-one?
The InChIKey is FHGIHNPRZIGWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F6NO3/c1-3-12(2)8-25-13(14(16,17)18,15(19,20)21)22(11(12)24)9-4-6-10(23)7-5-9/h4-7,23H,3,8H2,1-2H3.
What are the key properties of 5-ethyl-3-(4-hydroxyphenyl)-5-methyl-2,2-bis(trifluoromethyl)-1,3-oxazinan-4-one?
5-ethyl-3-(4-hydroxyphenyl)-5-methyl-2,2-bis(trifluoromethyl)-1,3-oxazinan-4-one has a molecular weight of 371.28 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(4-hydroxyphenyl)-5-methyl-2,2-bis(trifluoromethyl)-1,3-oxazinan-4-one is sourced from PubChem (CID 146439381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).