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

C13H15F2NO3 — CID 171188209

IUPAC(4R)-4-[4-(difluoromethoxy)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one
SMILESCC1(C)COC(=O)N[C@@H]1c1ccc(OC(F)F)cc1
InChIInChI=1S/C13H15F2NO3/c1-13(2)7-18-12(17)16-10(13)8-3-5-9(6-4-8)19-11(14)15/h3-6,10-11H,7H2,1-2H3,(H,16,17)/t10-/m1/s1
InChIKeyABSWZWHSWXCYRL-SNVBAGLBSA-N
MW271.26 g/mol
LogP3.10
Rot. Bonds3

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

(4R)-4-[4-(difluoromethoxy)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one (PubChem CID 171188209) has the molecular formula C13H15F2NO3 and a molecular weight of 271.26 g/mol. Its IUPAC name is (4R)-4-[4-(difluoromethoxy)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(4R)-4-[4-(difluoromethoxy)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one
PubChem CID171188209
Molecular FormulaC13H15F2NO3
Molecular Weight271.26 g/mol
Exact Mass271.10
IUPAC Name(4R)-4-[4-(difluoromethoxy)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one
SMILESCC1(C)COC(=O)N[C@@H]1c1ccc(OC(F)F)cc1
InChIInChI=1S/C13H15F2NO3/c1-13(2)7-18-12(17)16-10(13)8-3-5-9(6-4-8)19-11(14)15/h3-6,10-11H,7H2,1-2H3,(H,16,17)/t10-/m1/s1
InChIKeyABSWZWHSWXCYRL-SNVBAGLBSA-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-dimethyl-1,3-oxazinan-2-one
CID 171187151
(4R)-4-(3,4-difluorophenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171188446
(4S)-4-(3,5-dimethoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171186213
(4R)-4-(4-bromo-3-fluorophenyl)-5,5-dimethyl-1,3-oxazinan-2-one
CID 171187865
N-[4-[(4R)-5,5-dimethyl-2-oxo-1,3-oxazinan-4-yl]phenyl]acetamide;hydrochloride
CID 171188220
(4S)-4-(3-fluoro-4-methoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171186348
(4S)-4-(3,4-dibromophenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171187418
(4S)-4-(2,2-difluoro-1,3-benzodioxol-5-yl)-5,5-dimethyl-1,3-oxazinan-2-one
CID 171187463
(4R)-4-(3-methoxy-4-methylphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171188110
(4S)-4-(2-fluoro-5-methoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one
CID 171188507
(4R)-4-[3,5-bis(trifluoromethyl)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one
CID 171187555
(4S)-4-(4-chloro-3-methylphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171187188

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-(difluoromethoxy)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one?
The IUPAC name of (4R)-4-[4-(difluoromethoxy)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one (CID 171188209) is (4R)-4-[4-(difluoromethoxy)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one.
What is the SMILES notation for (4R)-4-[4-(difluoromethoxy)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one?
The canonical SMILES for (4R)-4-[4-(difluoromethoxy)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one is CC1(C)COC(=O)N[C@@H]1c1ccc(OC(F)F)cc1.
What is the InChIKey of (4R)-4-[4-(difluoromethoxy)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one?
The InChIKey is ABSWZWHSWXCYRL-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15F2NO3/c1-13(2)7-18-12(17)16-10(13)8-3-5-9(6-4-8)19-11(14)15/h3-6,10-11H,7H2,1-2H3,(H,16,17)/t10-/m1/s1.
What are the key properties of (4R)-4-[4-(difluoromethoxy)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one?
(4R)-4-[4-(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-[4-(difluoromethoxy)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one is sourced from PubChem (CID 171188209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).