(4R)-4-[2-(difluoromethoxy)phenyl]-5,5-difluoro-1,3-oxazinan-2-one

C11H9F4NO3 — CID 171188521

IUPAC(4R)-4-[2-(difluoromethoxy)phenyl]-5,5-difluoro-1,3-oxazinan-2-one
SMILESO=C1N[C@H](c2ccccc2OC(F)F)C(F)(F)CO1
InChIInChI=1S/C11H9F4NO3/c12-9(13)19-7-4-2-1-3-6(7)8-11(14,15)5-18-10(17)16-8/h1-4,8-9H,5H2,(H,16,17)/t8-/m1/s1
InChIKeyXJMNAPFEJAARDZ-MRVPVSSYSA-N
MW279.19 g/mol
LogP2.70
Rot. Bonds3

About (4R)-4-[2-(difluoromethoxy)phenyl]-5,5-difluoro-1,3-oxazinan-2-one

(4R)-4-[2-(difluoromethoxy)phenyl]-5,5-difluoro-1,3-oxazinan-2-one (PubChem CID 171188521) has the molecular formula C11H9F4NO3 and a molecular weight of 279.19 g/mol. Its IUPAC name is (4R)-4-[2-(difluoromethoxy)phenyl]-5,5-difluoro-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(4R)-4-[2-(difluoromethoxy)phenyl]-5,5-difluoro-1,3-oxazinan-2-one
PubChem CID171188521
Molecular FormulaC11H9F4NO3
Molecular Weight279.19 g/mol
Exact Mass279.05
IUPAC Name(4R)-4-[2-(difluoromethoxy)phenyl]-5,5-difluoro-1,3-oxazinan-2-one
SMILESO=C1N[C@H](c2ccccc2OC(F)F)C(F)(F)CO1
InChIInChI=1S/C11H9F4NO3/c12-9(13)19-7-4-2-1-3-6(7)8-11(14,15)5-18-10(17)16-8/h1-4,8-9H,5H2,(H,16,17)/t8-/m1/s1
InChIKeyXJMNAPFEJAARDZ-MRVPVSSYSA-N
XLogP2.70
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.19
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-[2-(difluoromethoxy)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one
CID 171187151
(4R)-5,5-difluoro-4-(2-phenylmethoxyphenyl)-1,3-oxazinan-2-one
CID 171188735
(4R)-4-(2-bromophenyl)-5,5-difluoro-1,3-oxazinan-2-one
CID 171187559
(4R)-5,5-difluoro-4-(2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171187816
(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)-5,5-difluoro-4-phenyl-1,3-oxazinan-2-one
CID 171188729
methyl 2-[(4S)-5,5-difluoro-2-oxo-1,3-oxazinan-4-yl]benzoate;hydrochloride
CID 171187106
(4R)-4-(3-ethoxy-2-hydroxyphenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride
CID 171188868
(4R)-4-(2,6-dimethoxyphenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride
CID 171187796
(4R)-5,5-difluoro-4-(3-fluoro-2-hydroxyphenyl)-1,3-oxazinan-2-one
CID 171187611
(4R)-4-(2-chloro-3-fluorophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride
CID 171187982

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[2-(difluoromethoxy)phenyl]-5,5-difluoro-1,3-oxazinan-2-one?
The IUPAC name of (4R)-4-[2-(difluoromethoxy)phenyl]-5,5-difluoro-1,3-oxazinan-2-one (CID 171188521) is (4R)-4-[2-(difluoromethoxy)phenyl]-5,5-difluoro-1,3-oxazinan-2-one.
What is the SMILES notation for (4R)-4-[2-(difluoromethoxy)phenyl]-5,5-difluoro-1,3-oxazinan-2-one?
The canonical SMILES for (4R)-4-[2-(difluoromethoxy)phenyl]-5,5-difluoro-1,3-oxazinan-2-one is O=C1N[C@H](c2ccccc2OC(F)F)C(F)(F)CO1.
What is the InChIKey of (4R)-4-[2-(difluoromethoxy)phenyl]-5,5-difluoro-1,3-oxazinan-2-one?
The InChIKey is XJMNAPFEJAARDZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H9F4NO3/c12-9(13)19-7-4-2-1-3-6(7)8-11(14,15)5-18-10(17)16-8/h1-4,8-9H,5H2,(H,16,17)/t8-/m1/s1.
What are the key properties of (4R)-4-[2-(difluoromethoxy)phenyl]-5,5-difluoro-1,3-oxazinan-2-one?
(4R)-4-[2-(difluoromethoxy)phenyl]-5,5-difluoro-1,3-oxazinan-2-one has a molecular weight of 279.19 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[2-(difluoromethoxy)phenyl]-5,5-difluoro-1,3-oxazinan-2-one is sourced from PubChem (CID 171188521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).