2-[2-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4H-1,4-oxazin-3-one

C14H11F6NO3 — CID 142101235

IUPAC2-[2-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4H-1,4-oxazin-3-one
SMILESO=C1NC=COC1OCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H11F6NO3/c15-13(16,17)9-5-8(6-10(7-9)14(18,19)20)1-3-23-12-11(22)21-2-4-24-12/h2,4-7,12H,1,3H2,(H,21,22)
InChIKeyNPUCHQAMGJUHCQ-UHFFFAOYSA-N
MW355.23 g/mol
LogP3.23
Rot. Bonds4

About 2-[2-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4H-1,4-oxazin-3-one

2-[2-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4H-1,4-oxazin-3-one (PubChem CID 142101235) has the molecular formula C14H11F6NO3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 2-[2-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4H-1,4-oxazin-3-one.

Molecular Properties

Compound Name2-[2-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4H-1,4-oxazin-3-one
PubChem CID142101235
Molecular FormulaC14H11F6NO3
Molecular Weight355.23 g/mol
Exact Mass355.06
IUPAC Name2-[2-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4H-1,4-oxazin-3-one
SMILESO=C1NC=COC1OCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H11F6NO3/c15-13(16,17)9-5-8(6-10(7-9)14(18,19)20)1-3-23-12-11(22)21-2-4-24-12/h2,4-7,12H,1,3H2,(H,21,22)
InChIKeyNPUCHQAMGJUHCQ-UHFFFAOYSA-N
XLogP3.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6R)-6-[2-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-5-(4-fluorophenyl)-3,6-dihydro-2H-1,4-oxazine
CID 87763098
7-[2-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 87633892
(3-oxo-4H-1,4-oxazin-2-yl) acetate
CID 143843630
3-[2-[4-(trifluoromethyl)phenyl]ethoxy]azetidine
CID 115070494
(2R,3S)-3-(4-fluorophenyl)-2-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]morpholine
CID 67760143
3-[3,5-bis(trifluoromethyl)phenyl]propyl-dimethoxy-methylsilane
CID 90172351
2-[3,5-bis(trifluoromethyl)phenyl]ethanesulfinic acid
CID 22506669
1,3-dipropyl-5-(trifluoromethyl)benzene
CID 58332275
6-[3,5-bis(trifluoromethyl)phenyl]hexyl-ethoxy-dimethylsilane
CID 90174980
5-[3,5-bis(trifluoromethyl)phenyl]pentyl-dimethoxy-methylsilane
CID 90175393
2-[3,5-bis(trifluoromethyl)phenyl]ethyl-tripropoxysilane
CID 90171216
2,5-bis[[3,5-bis(trifluoromethyl)phenyl]methylamino]cyclohexa-2,5-diene-1,4-dione
CID 130476118

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4H-1,4-oxazin-3-one?
The IUPAC name of 2-[2-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4H-1,4-oxazin-3-one (CID 142101235) is 2-[2-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4H-1,4-oxazin-3-one.
What is the SMILES notation for 2-[2-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4H-1,4-oxazin-3-one?
The canonical SMILES for 2-[2-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4H-1,4-oxazin-3-one is O=C1NC=COC1OCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[2-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4H-1,4-oxazin-3-one?
The InChIKey is NPUCHQAMGJUHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F6NO3/c15-13(16,17)9-5-8(6-10(7-9)14(18,19)20)1-3-23-12-11(22)21-2-4-24-12/h2,4-7,12H,1,3H2,(H,21,22).
What are the key properties of 2-[2-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4H-1,4-oxazin-3-one?
2-[2-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4H-1,4-oxazin-3-one has a molecular weight of 355.23 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4H-1,4-oxazin-3-one is sourced from PubChem (CID 142101235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).