(4R)-4-(2,6-dimethoxyphenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride

C12H14ClF2NO4 — CID 171187796

IUPAC(4R)-4-(2,6-dimethoxyphenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride
SMILESCOc1cccc(OC)c1[C@H]1NC(=O)OCC1(F)F.Cl
InChIInChI=1S/C12H13F2NO4.ClH/c1-17-7-4-3-5-8(18-2)9(7)10-12(13,14)6-19-11(16)15-10;/h3-5,10H,6H2,1-2H3,(H,15,16);1H/t10-;/m1./s1
InChIKeyYUZMWPOVUGBLSE-HNCPQSOCSA-N
MW309.70 g/mol
LogP2.54
Rot. Bonds3

About (4R)-4-(2,6-dimethoxyphenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride

(4R)-4-(2,6-dimethoxyphenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride (PubChem CID 171187796) has the molecular formula C12H14ClF2NO4 and a molecular weight of 309.70 g/mol. Its IUPAC name is (4R)-4-(2,6-dimethoxyphenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride.

Molecular Properties

Compound Name(4R)-4-(2,6-dimethoxyphenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride
PubChem CID171187796
Molecular FormulaC12H14ClF2NO4
Molecular Weight309.70 g/mol
Exact Mass309.06
IUPAC Name(4R)-4-(2,6-dimethoxyphenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride
SMILESCOc1cccc(OC)c1[C@H]1NC(=O)OCC1(F)F.Cl
InChIInChI=1S/C12H13F2NO4.ClH/c1-17-7-4-3-5-8(18-2)9(7)10-12(13,14)6-19-11(16)15-10;/h3-5,10H,6H2,1-2H3,(H,15,16);1H/t10-;/m1./s1
InChIKeyYUZMWPOVUGBLSE-HNCPQSOCSA-N
XLogP2.54
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.70
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2,6-dimethoxyphenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride?
The IUPAC name of (4R)-4-(2,6-dimethoxyphenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride (CID 171187796) is (4R)-4-(2,6-dimethoxyphenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride.
What is the SMILES notation for (4R)-4-(2,6-dimethoxyphenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride?
The canonical SMILES for (4R)-4-(2,6-dimethoxyphenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride is COc1cccc(OC)c1[C@H]1NC(=O)OCC1(F)F.Cl.
What is the InChIKey of (4R)-4-(2,6-dimethoxyphenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride?
The InChIKey is YUZMWPOVUGBLSE-HNCPQSOCSA-N. The full InChI is InChI=1S/C12H13F2NO4.ClH/c1-17-7-4-3-5-8(18-2)9(7)10-12(13,14)6-19-11(16)15-10;/h3-5,10H,6H2,1-2H3,(H,15,16);1H/t10-;/m1./s1.
What are the key properties of (4R)-4-(2,6-dimethoxyphenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride?
(4R)-4-(2,6-dimethoxyphenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride has a molecular weight of 309.70 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2,6-dimethoxyphenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride is sourced from PubChem (CID 171187796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).