(4R)-5,5-difluoro-4-(2-phenylmethoxyphenyl)-1,3-oxazinan-2-one

C17H15F2NO3 — CID 171188735

IUPAC(4R)-5,5-difluoro-4-(2-phenylmethoxyphenyl)-1,3-oxazinan-2-one
SMILESO=C1N[C@H](c2ccccc2OCc2ccccc2)C(F)(F)CO1
InChIInChI=1S/C17H15F2NO3/c18-17(19)11-23-16(21)20-15(17)13-8-4-5-9-14(13)22-10-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,20,21)/t15-/m1/s1
InChIKeyFPUFJSZWVSAADA-OAHLLOKOSA-N
MW319.31 g/mol
LogP3.68
Rot. Bonds4

About (4R)-5,5-difluoro-4-(2-phenylmethoxyphenyl)-1,3-oxazinan-2-one

(4R)-5,5-difluoro-4-(2-phenylmethoxyphenyl)-1,3-oxazinan-2-one (PubChem CID 171188735) has the molecular formula C17H15F2NO3 and a molecular weight of 319.31 g/mol. Its IUPAC name is (4R)-5,5-difluoro-4-(2-phenylmethoxyphenyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(4R)-5,5-difluoro-4-(2-phenylmethoxyphenyl)-1,3-oxazinan-2-one
PubChem CID171188735
Molecular FormulaC17H15F2NO3
Molecular Weight319.31 g/mol
Exact Mass319.10
IUPAC Name(4R)-5,5-difluoro-4-(2-phenylmethoxyphenyl)-1,3-oxazinan-2-one
SMILESO=C1N[C@H](c2ccccc2OCc2ccccc2)C(F)(F)CO1
InChIInChI=1S/C17H15F2NO3/c18-17(19)11-23-16(21)20-15(17)13-8-4-5-9-14(13)22-10-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,20,21)/t15-/m1/s1
InChIKeyFPUFJSZWVSAADA-OAHLLOKOSA-N
XLogP3.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-(3-ethoxy-2-hydroxyphenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride
CID 171188868
(4R)-4-(2-phenylmethoxyphenyl)-1,3-oxazinan-2-one
CID 171185374
(4R)-4-(2-bromophenyl)-5,5-difluoro-1,3-oxazinan-2-one
CID 171187559
(4S)-4-(2,3-dimethoxyphenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride
CID 171186239
2-[(4R)-5,5-difluoro-2-oxo-1,3-oxazinan-4-yl]benzonitrile
CID 171187869
(4R)-4-(4-methoxy-3-phenylmethoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one
CID 171188683
(4R)-4-(2,6-dimethoxyphenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride
CID 171187796
(4R)-4-(4-bromo-2-methoxyphenyl)-5,5-difluoro-1,3-oxazinan-2-one
CID 171188093
(4R)-4-(2,5-dihydroxyphenyl)-5,5-difluoro-1,3-oxazinan-2-one
CID 171187785
2-(2-phenylmethoxyphenyl)azetidine
CID 130043680
(4S)-4-(3,5-dimethyl-4-phenylmethoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171187342
(4R)-4-(2-chloro-5-fluorophenyl)-5,5-difluoro-1,3-oxazinan-2-one
CID 171188059

Frequently Asked Questions

What is the IUPAC name of (4R)-5,5-difluoro-4-(2-phenylmethoxyphenyl)-1,3-oxazinan-2-one?
The IUPAC name of (4R)-5,5-difluoro-4-(2-phenylmethoxyphenyl)-1,3-oxazinan-2-one (CID 171188735) is (4R)-5,5-difluoro-4-(2-phenylmethoxyphenyl)-1,3-oxazinan-2-one.
What is the SMILES notation for (4R)-5,5-difluoro-4-(2-phenylmethoxyphenyl)-1,3-oxazinan-2-one?
The canonical SMILES for (4R)-5,5-difluoro-4-(2-phenylmethoxyphenyl)-1,3-oxazinan-2-one is O=C1N[C@H](c2ccccc2OCc2ccccc2)C(F)(F)CO1.
What is the InChIKey of (4R)-5,5-difluoro-4-(2-phenylmethoxyphenyl)-1,3-oxazinan-2-one?
The InChIKey is FPUFJSZWVSAADA-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H15F2NO3/c18-17(19)11-23-16(21)20-15(17)13-8-4-5-9-14(13)22-10-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,20,21)/t15-/m1/s1.
What are the key properties of (4R)-5,5-difluoro-4-(2-phenylmethoxyphenyl)-1,3-oxazinan-2-one?
(4R)-5,5-difluoro-4-(2-phenylmethoxyphenyl)-1,3-oxazinan-2-one has a molecular weight of 319.31 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5,5-difluoro-4-(2-phenylmethoxyphenyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 171188735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).