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

C10H9Br2ClF2N2O2 — CID 171187628

IUPAC(4R)-4-(2-amino-3,5-dibromophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride
SMILESCl.Nc1c(Br)cc(Br)cc1[C@H]1NC(=O)OCC1(F)F
InChIInChI=1S/C10H8Br2F2N2O2.ClH/c11-4-1-5(7(15)6(12)2-4)8-10(13,14)3-18-9(17)16-8;/h1-2,8H,3,15H2,(H,16,17);1H/t8-;/m1./s1
InChIKeyWIEKAFQQQBOWEX-DDWIOCJRSA-N
MW422.45 g/mol
LogP3.63
Rot. Bonds1

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

(4R)-4-(2-amino-3,5-dibromophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride (PubChem CID 171187628) has the molecular formula C10H9Br2ClF2N2O2 and a molecular weight of 422.45 g/mol. Its IUPAC name is (4R)-4-(2-amino-3,5-dibromophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride.

Molecular Properties

Compound Name(4R)-4-(2-amino-3,5-dibromophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride
PubChem CID171187628
Molecular FormulaC10H9Br2ClF2N2O2
Molecular Weight422.45 g/mol
Exact Mass419.87
IUPAC Name(4R)-4-(2-amino-3,5-dibromophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride
SMILESCl.Nc1c(Br)cc(Br)cc1[C@H]1NC(=O)OCC1(F)F
InChIInChI=1S/C10H8Br2F2N2O2.ClH/c11-4-1-5(7(15)6(12)2-4)8-10(13,14)3-18-9(17)16-8;/h1-2,8H,3,15H2,(H,16,17);1H/t8-;/m1./s1
InChIKeyWIEKAFQQQBOWEX-DDWIOCJRSA-N
XLogP3.63
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(4R)-4-(2,5-dibromophenyl)-5,5-difluoro-1,3-oxazinan-2-one
CID 171188815
(4S)-4-(4-bromo-2-fluorophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride
CID 171186201
(4R)-4-(2-bromophenyl)-5,5-difluoro-1,3-oxazinan-2-one
CID 171187559
(4R)-4-(3-bromo-4-fluorophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride
CID 171187800
(4S)-4-(2-chloro-5-fluorophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride
CID 171186574
(4S)-4-(3-bromo-4-chlorophenyl)-5,5-difluoro-1,3-oxazinan-2-one
CID 171186789
(4R)-4-(4-bromo-2-methoxyphenyl)-5,5-difluoro-1,3-oxazinan-2-one
CID 171188093
(4R)-5,5-difluoro-4-(2,4,5-trimethoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171187640
(4R)-4-(2,4-difluorophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride
CID 171187618
(4S)-5,5-difluoro-4-(2,3,4-trihydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171186274
(4R)-4-(3-bromo-4-methylphenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride
CID 171187988
(4R)-5,5-difluoro-4-(2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171187816

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-amino-3,5-dibromophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride?
The IUPAC name of (4R)-4-(2-amino-3,5-dibromophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride (CID 171187628) is (4R)-4-(2-amino-3,5-dibromophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride.
What is the SMILES notation for (4R)-4-(2-amino-3,5-dibromophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride?
The canonical SMILES for (4R)-4-(2-amino-3,5-dibromophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride is Cl.Nc1c(Br)cc(Br)cc1[C@H]1NC(=O)OCC1(F)F.
What is the InChIKey of (4R)-4-(2-amino-3,5-dibromophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride?
The InChIKey is WIEKAFQQQBOWEX-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H8Br2F2N2O2.ClH/c11-4-1-5(7(15)6(12)2-4)8-10(13,14)3-18-9(17)16-8;/h1-2,8H,3,15H2,(H,16,17);1H/t8-;/m1./s1.
What are the key properties of (4R)-4-(2-amino-3,5-dibromophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride?
(4R)-4-(2-amino-3,5-dibromophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride has a molecular weight of 422.45 g/mol, XLogP of 3.63, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-amino-3,5-dibromophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride is sourced from PubChem (CID 171187628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).