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

C13H15F2NO3 — CID 171187151

IUPAC(4R)-4-[2-(difluoromethoxy)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one
SMILESCC1(C)COC(=O)N[C@H]1c1ccccc1OC(F)F
InChIInChI=1S/C13H15F2NO3/c1-13(2)7-18-12(17)16-10(13)8-5-3-4-6-9(8)19-11(14)15/h3-6,10-11H,7H2,1-2H3,(H,16,17)/t10-/m0/s1
InChIKeyNQDCZTBOOWLVNT-JTQLQIEISA-N
MW271.26 g/mol
LogP3.10
Rot. Bonds3

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

(4R)-4-[2-(difluoromethoxy)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one (PubChem CID 171187151) has the molecular formula C13H15F2NO3 and a molecular weight of 271.26 g/mol. Its IUPAC name is (4R)-4-[2-(difluoromethoxy)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(4R)-4-[2-(difluoromethoxy)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one
PubChem CID171187151
Molecular FormulaC13H15F2NO3
Molecular Weight271.26 g/mol
Exact Mass271.10
IUPAC Name(4R)-4-[2-(difluoromethoxy)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one
SMILESCC1(C)COC(=O)N[C@H]1c1ccccc1OC(F)F
InChIInChI=1S/C13H15F2NO3/c1-13(2)7-18-12(17)16-10(13)8-5-3-4-6-9(8)19-11(14)15/h3-6,10-11H,7H2,1-2H3,(H,16,17)/t10-/m0/s1
InChIKeyNQDCZTBOOWLVNT-JTQLQIEISA-N
XLogP3.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-[2-(difluoromethoxy)phenyl]-5,5-difluoro-1,3-oxazinan-2-one
CID 171188521
(4R)-4-(2-methoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171186312
(4R)-4-(2-fluoro-3-methoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171186686
(4R)-4-[4-(difluoromethoxy)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one
CID 171188209
(4S)-4-(3-fluoro-2-methoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171187854
(4R)-4-(2-bromophenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171186085
(4R)-5,5-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride
CID 171188230
(4R)-4-(2-tert-butylsulfanylphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171187362
(4R)-4-(4-methoxynaphthalen-1-yl)-5,5-dimethyl-1,3-oxazinan-2-one
CID 171188689
(4R)-4-[2-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one
CID 171186841
(4R)-4-(3-fluoro-2-methylphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171187970
(4S)-5,5-dimethyl-4-(2-nitrophenyl)-1,3-oxazinan-2-one
CID 171186092

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[2-(difluoromethoxy)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one?
The IUPAC name of (4R)-4-[2-(difluoromethoxy)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one (CID 171187151) is (4R)-4-[2-(difluoromethoxy)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one.
What is the SMILES notation for (4R)-4-[2-(difluoromethoxy)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one?
The canonical SMILES for (4R)-4-[2-(difluoromethoxy)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one is CC1(C)COC(=O)N[C@H]1c1ccccc1OC(F)F.
What is the InChIKey of (4R)-4-[2-(difluoromethoxy)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one?
The InChIKey is NQDCZTBOOWLVNT-JTQLQIEISA-N. The full InChI is InChI=1S/C13H15F2NO3/c1-13(2)7-18-12(17)16-10(13)8-5-3-4-6-9(8)19-11(14)15/h3-6,10-11H,7H2,1-2H3,(H,16,17)/t10-/m0/s1.
What are the key properties of (4R)-4-[2-(difluoromethoxy)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one?
(4R)-4-[2-(difluoromethoxy)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one has a molecular weight of 271.26 g/mol, XLogP of 3.10, 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-dimethyl-1,3-oxazinan-2-one is sourced from PubChem (CID 171187151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).