(4R)-5,5-difluoro-4-(4-propan-2-ylphenyl)-1,3-oxazinan-2-one;hydrochloride

C13H16ClF2NO2 — CID 171187698

IUPAC(4R)-5,5-difluoro-4-(4-propan-2-ylphenyl)-1,3-oxazinan-2-one;hydrochloride
SMILESCC(C)c1ccc([C@H]2NC(=O)OCC2(F)F)cc1.Cl
InChIInChI=1S/C13H15F2NO2.ClH/c1-8(2)9-3-5-10(6-4-9)11-13(14,15)7-18-12(17)16-11;/h3-6,8,11H,7H2,1-2H3,(H,16,17);1H/t11-;/m1./s1
InChIKeyXQBIZGXMAAGXFC-RFVHGSKJSA-N
MW291.73 g/mol
LogP3.65
Rot. Bonds2

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

(4R)-5,5-difluoro-4-(4-propan-2-ylphenyl)-1,3-oxazinan-2-one;hydrochloride (PubChem CID 171187698) has the molecular formula C13H16ClF2NO2 and a molecular weight of 291.73 g/mol. Its IUPAC name is (4R)-5,5-difluoro-4-(4-propan-2-ylphenyl)-1,3-oxazinan-2-one;hydrochloride.

Molecular Properties

Compound Name(4R)-5,5-difluoro-4-(4-propan-2-ylphenyl)-1,3-oxazinan-2-one;hydrochloride
PubChem CID171187698
Molecular FormulaC13H16ClF2NO2
Molecular Weight291.73 g/mol
Exact Mass291.08
IUPAC Name(4R)-5,5-difluoro-4-(4-propan-2-ylphenyl)-1,3-oxazinan-2-one;hydrochloride
SMILESCC(C)c1ccc([C@H]2NC(=O)OCC2(F)F)cc1.Cl
InChIInChI=1S/C13H15F2NO2.ClH/c1-8(2)9-3-5-10(6-4-9)11-13(14,15)7-18-12(17)16-11;/h3-6,8,11H,7H2,1-2H3,(H,16,17);1H/t11-;/m1./s1
InChIKeyXQBIZGXMAAGXFC-RFVHGSKJSA-N
XLogP3.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4R)-5,5-difluoro-4-(4-propan-2-ylphenyl)-1,3-oxazinan-2-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-5,5-difluoro-4-(4-fluorophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171187650
(4R)-5,5-difluoro-4-(3-propan-2-ylphenyl)-1,3-oxazinan-2-one
CID 171188565
(4S)-5,5-difluoro-4-(4-hydroxyphenyl)-1,3-oxazinan-2-one
CID 171186128
(4R)-5,5-difluoro-4-phenyl-1,3-oxazinan-2-one
CID 171188729
(4S)-4-(3,4-dichlorophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride
CID 171186414
4-[(4R)-5,5-difluoro-2-oxo-1,3-oxazinan-4-yl]benzoic acid;hydrochloride
CID 171187582
(4R)-5,5-difluoro-4-(4-nitrophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171187558
(4R)-4-(4-ethoxyphenyl)-5,5-difluoro-1,3-oxazinan-2-one
CID 171187755
(4R)-4-(3-chloro-4-fluorophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride
CID 171187822
[4-[(4S)-5,5-difluoro-2-oxo-1,3-oxazinan-4-yl]phenyl] acetate
CID 171186983
(4R)-4-(3-bromo-4-methylphenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride
CID 171187988
(4R)-4-(4-chloro-3-fluorophenyl)-5,5-difluoro-1,3-oxazinan-2-one
CID 171188409

Frequently Asked Questions

What is the IUPAC name of (4R)-5,5-difluoro-4-(4-propan-2-ylphenyl)-1,3-oxazinan-2-one;hydrochloride?
The IUPAC name of (4R)-5,5-difluoro-4-(4-propan-2-ylphenyl)-1,3-oxazinan-2-one;hydrochloride (CID 171187698) is (4R)-5,5-difluoro-4-(4-propan-2-ylphenyl)-1,3-oxazinan-2-one;hydrochloride.
What is the SMILES notation for (4R)-5,5-difluoro-4-(4-propan-2-ylphenyl)-1,3-oxazinan-2-one;hydrochloride?
The canonical SMILES for (4R)-5,5-difluoro-4-(4-propan-2-ylphenyl)-1,3-oxazinan-2-one;hydrochloride is CC(C)c1ccc([C@H]2NC(=O)OCC2(F)F)cc1.Cl.
What is the InChIKey of (4R)-5,5-difluoro-4-(4-propan-2-ylphenyl)-1,3-oxazinan-2-one;hydrochloride?
The InChIKey is XQBIZGXMAAGXFC-RFVHGSKJSA-N. The full InChI is InChI=1S/C13H15F2NO2.ClH/c1-8(2)9-3-5-10(6-4-9)11-13(14,15)7-18-12(17)16-11;/h3-6,8,11H,7H2,1-2H3,(H,16,17);1H/t11-;/m1./s1.
What are the key properties of (4R)-5,5-difluoro-4-(4-propan-2-ylphenyl)-1,3-oxazinan-2-one;hydrochloride?
(4R)-5,5-difluoro-4-(4-propan-2-ylphenyl)-1,3-oxazinan-2-one;hydrochloride has a molecular weight of 291.73 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5,5-difluoro-4-(4-propan-2-ylphenyl)-1,3-oxazinan-2-one;hydrochloride is sourced from PubChem (CID 171187698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).