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

C11H11ClF3NO3 — CID 171188488

IUPAC(4R)-5,5-difluoro-4-(2-fluoro-6-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
SMILESCOc1cccc(F)c1[C@H]1NC(=O)OCC1(F)F.Cl
InChIInChI=1S/C11H10F3NO3.ClH/c1-17-7-4-2-3-6(12)8(7)9-11(13,14)5-18-10(16)15-9;/h2-4,9H,5H2,1H3,(H,15,16);1H/t9-;/m1./s1
InChIKeyXLPMPGIEFGUIPV-SBSPUUFOSA-N
MW297.66 g/mol
LogP2.67
Rot. Bonds2

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

(4R)-5,5-difluoro-4-(2-fluoro-6-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride (PubChem CID 171188488) has the molecular formula C11H11ClF3NO3 and a molecular weight of 297.66 g/mol. Its IUPAC name is (4R)-5,5-difluoro-4-(2-fluoro-6-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride.

Molecular Properties

Compound Name(4R)-5,5-difluoro-4-(2-fluoro-6-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
PubChem CID171188488
Molecular FormulaC11H11ClF3NO3
Molecular Weight297.66 g/mol
Exact Mass297.04
IUPAC Name(4R)-5,5-difluoro-4-(2-fluoro-6-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
SMILESCOc1cccc(F)c1[C@H]1NC(=O)OCC1(F)F.Cl
InChIInChI=1S/C11H10F3NO3.ClH/c1-17-7-4-2-3-6(12)8(7)9-11(13,14)5-18-10(16)15-9;/h2-4,9H,5H2,1H3,(H,15,16);1H/t9-;/m1./s1
InChIKeyXLPMPGIEFGUIPV-SBSPUUFOSA-N
XLogP2.67
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.66
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-5,5-difluoro-4-(2-fluoro-6-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride?
The IUPAC name of (4R)-5,5-difluoro-4-(2-fluoro-6-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride (CID 171188488) is (4R)-5,5-difluoro-4-(2-fluoro-6-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride.
What is the SMILES notation for (4R)-5,5-difluoro-4-(2-fluoro-6-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride?
The canonical SMILES for (4R)-5,5-difluoro-4-(2-fluoro-6-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride is COc1cccc(F)c1[C@H]1NC(=O)OCC1(F)F.Cl.
What is the InChIKey of (4R)-5,5-difluoro-4-(2-fluoro-6-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride?
The InChIKey is XLPMPGIEFGUIPV-SBSPUUFOSA-N. The full InChI is InChI=1S/C11H10F3NO3.ClH/c1-17-7-4-2-3-6(12)8(7)9-11(13,14)5-18-10(16)15-9;/h2-4,9H,5H2,1H3,(H,15,16);1H/t9-;/m1./s1.
What are the key properties of (4R)-5,5-difluoro-4-(2-fluoro-6-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride?
(4R)-5,5-difluoro-4-(2-fluoro-6-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride has a molecular weight of 297.66 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5,5-difluoro-4-(2-fluoro-6-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride is sourced from PubChem (CID 171188488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).