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

C10H10ClF2NO3 — CID 171187816

IUPAC(4R)-5,5-difluoro-4-(2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
SMILESCl.O=C1N[C@H](c2ccccc2O)C(F)(F)CO1
InChIInChI=1S/C10H9F2NO3.ClH/c11-10(12)5-16-9(15)13-8(10)6-3-1-2-4-7(6)14;/h1-4,8,14H,5H2,(H,13,15);1H/t8-;/m1./s1
InChIKeyBMZAPYGOOHXJHU-DDWIOCJRSA-N
MW265.64 g/mol
LogP2.23
Rot. Bonds1

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

(4R)-5,5-difluoro-4-(2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride (PubChem CID 171187816) has the molecular formula C10H10ClF2NO3 and a molecular weight of 265.64 g/mol. Its IUPAC name is (4R)-5,5-difluoro-4-(2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride.

Molecular Properties

Compound Name(4R)-5,5-difluoro-4-(2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
PubChem CID171187816
Molecular FormulaC10H10ClF2NO3
Molecular Weight265.64 g/mol
Exact Mass265.03
IUPAC Name(4R)-5,5-difluoro-4-(2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
SMILESCl.O=C1N[C@H](c2ccccc2O)C(F)(F)CO1
InChIInChI=1S/C10H9F2NO3.ClH/c11-10(12)5-16-9(15)13-8(10)6-3-1-2-4-7(6)14;/h1-4,8,14H,5H2,(H,13,15);1H/t8-;/m1./s1
InChIKeyBMZAPYGOOHXJHU-DDWIOCJRSA-N
XLogP2.23
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.64
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(4R)-4-(2,5-dihydroxyphenyl)-5,5-difluoro-1,3-oxazinan-2-one
CID 171187785
(4S)-5,5-difluoro-4-(2,3,4-trihydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171186274
(4R)-4-(2-bromophenyl)-5,5-difluoro-1,3-oxazinan-2-one
CID 171187559
(4R)-5,5-difluoro-4-(3-fluoro-2-hydroxyphenyl)-1,3-oxazinan-2-one
CID 171187611
methyl 2-[(4S)-5,5-difluoro-2-oxo-1,3-oxazinan-4-yl]benzoate;hydrochloride
CID 171187106
2-[(4R)-5,5-difluoro-2-oxo-1,3-oxazinan-4-yl]benzonitrile
CID 171187869
(4R)-5,5-difluoro-4-phenyl-1,3-oxazinan-2-one
CID 171188729
(4R)-4-(2-chloro-3-fluorophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride
CID 171187982
(4R)-5,5-difluoro-4-(2-hydroxy-4-methoxyphenyl)-1,3-oxazinan-2-one
CID 171187763
(4R)-5,5-difluoro-4-[2-hydroxy-5-(trifluoromethoxy)phenyl]-1,3-oxazinan-2-one;hydrochloride
CID 171188466
(4R)-4-[2-(difluoromethoxy)phenyl]-5,5-difluoro-1,3-oxazinan-2-one
CID 171188521
(4S)-5,5-difluoro-4-(4-methylnaphthalen-1-yl)-1,3-oxazinan-2-one;hydrochloride
CID 171186926

Frequently Asked Questions

What is the IUPAC name of (4R)-5,5-difluoro-4-(2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride?
The IUPAC name of (4R)-5,5-difluoro-4-(2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride (CID 171187816) is (4R)-5,5-difluoro-4-(2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride.
What is the SMILES notation for (4R)-5,5-difluoro-4-(2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride?
The canonical SMILES for (4R)-5,5-difluoro-4-(2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride is Cl.O=C1N[C@H](c2ccccc2O)C(F)(F)CO1.
What is the InChIKey of (4R)-5,5-difluoro-4-(2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride?
The InChIKey is BMZAPYGOOHXJHU-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H9F2NO3.ClH/c11-10(12)5-16-9(15)13-8(10)6-3-1-2-4-7(6)14;/h1-4,8,14H,5H2,(H,13,15);1H/t8-;/m1./s1.
What are the key properties of (4R)-5,5-difluoro-4-(2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride?
(4R)-5,5-difluoro-4-(2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride has a molecular weight of 265.64 g/mol, XLogP of 2.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5,5-difluoro-4-(2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride is sourced from PubChem (CID 171187816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).