(4R)-4-(2,6-difluoro-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride

C11H12ClF2NO3 — CID 171185407

IUPAC(4R)-4-(2,6-difluoro-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
SMILESCOc1ccc(F)c([C@H]2CCOC(=O)N2)c1F.Cl
InChIInChI=1S/C11H11F2NO3.ClH/c1-16-8-3-2-6(12)9(10(8)13)7-4-5-17-11(15)14-7;/h2-3,7H,4-5H2,1H3,(H,14,15);1H/t7-;/m1./s1
InChIKeyIHSFSIOVBMBNKJ-OGFXRTJISA-N
MW279.67 g/mol
LogP2.57
Rot. Bonds2

About (4R)-4-(2,6-difluoro-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride

(4R)-4-(2,6-difluoro-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride (PubChem CID 171185407) has the molecular formula C11H12ClF2NO3 and a molecular weight of 279.67 g/mol. Its IUPAC name is (4R)-4-(2,6-difluoro-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride.

Molecular Properties

Compound Name(4R)-4-(2,6-difluoro-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
PubChem CID171185407
Molecular FormulaC11H12ClF2NO3
Molecular Weight279.67 g/mol
Exact Mass279.05
IUPAC Name(4R)-4-(2,6-difluoro-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
SMILESCOc1ccc(F)c([C@H]2CCOC(=O)N2)c1F.Cl
InChIInChI=1S/C11H11F2NO3.ClH/c1-16-8-3-2-6(12)9(10(8)13)7-4-5-17-11(15)14-7;/h2-3,7H,4-5H2,1H3,(H,14,15);1H/t7-;/m1./s1
InChIKeyIHSFSIOVBMBNKJ-OGFXRTJISA-N
XLogP2.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.67
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-(2,6-difluoro-3-methylphenyl)-1,3-oxazinan-2-one
CID 171185840
(4S)-4-(2,3,4,5,6-pentafluorophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185872
(4S)-4-(4-fluoro-2-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185659
(4S)-4-(2-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185520
(4S)-4-(2,6-difluoro-3-methoxyphenyl)-5,5-difluoro-1,3-oxazinan-2-one
CID 171187469
(4S)-4-(4-chloro-2,6-difluorophenyl)-1,3-oxazinan-2-one
CID 171185912
(4S)-4-(2,3,4-trifluorophenyl)-1,3-oxazinan-2-one
CID 171185725
(2S)-2-(2,6-difluoro-3-methoxyphenyl)pyrrolidine;hydrochloride
CID 171196574
(4R)-4-(2,3-dimethoxyphenyl)-1,3-oxazinan-2-one
CID 171184846
(4R)-4-(2-bromo-4,5-dimethoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184854
(4R)-4-(2-fluorophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184835
(4R)-4-(3-methoxy-4-methylphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185050

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2,6-difluoro-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride?
The IUPAC name of (4R)-4-(2,6-difluoro-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride (CID 171185407) is (4R)-4-(2,6-difluoro-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride.
What is the SMILES notation for (4R)-4-(2,6-difluoro-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride?
The canonical SMILES for (4R)-4-(2,6-difluoro-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride is COc1ccc(F)c([C@H]2CCOC(=O)N2)c1F.Cl.
What is the InChIKey of (4R)-4-(2,6-difluoro-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride?
The InChIKey is IHSFSIOVBMBNKJ-OGFXRTJISA-N. The full InChI is InChI=1S/C11H11F2NO3.ClH/c1-16-8-3-2-6(12)9(10(8)13)7-4-5-17-11(15)14-7;/h2-3,7H,4-5H2,1H3,(H,14,15);1H/t7-;/m1./s1.
What are the key properties of (4R)-4-(2,6-difluoro-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride?
(4R)-4-(2,6-difluoro-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride has a molecular weight of 279.67 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2,6-difluoro-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride is sourced from PubChem (CID 171185407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).