(4R)-4-(2-bromophenyl)-5,5-difluoro-1,3-oxazinan-2-one

C10H8BrF2NO2 — CID 171187559

IUPAC(4R)-4-(2-bromophenyl)-5,5-difluoro-1,3-oxazinan-2-one
SMILESO=C1N[C@H](c2ccccc2Br)C(F)(F)CO1
InChIInChI=1S/C10H8BrF2NO2/c11-7-4-2-1-3-6(7)8-10(12,13)5-16-9(15)14-8/h1-4,8H,5H2,(H,14,15)/t8-/m1/s1
InChIKeyMIGSXNPCENJMHM-MRVPVSSYSA-N
MW292.08 g/mol
LogP2.87
Rot. Bonds1

About (4R)-4-(2-bromophenyl)-5,5-difluoro-1,3-oxazinan-2-one

(4R)-4-(2-bromophenyl)-5,5-difluoro-1,3-oxazinan-2-one (PubChem CID 171187559) has the molecular formula C10H8BrF2NO2 and a molecular weight of 292.08 g/mol. Its IUPAC name is (4R)-4-(2-bromophenyl)-5,5-difluoro-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(4R)-4-(2-bromophenyl)-5,5-difluoro-1,3-oxazinan-2-one
PubChem CID171187559
Molecular FormulaC10H8BrF2NO2
Molecular Weight292.08 g/mol
Exact Mass290.97
IUPAC Name(4R)-4-(2-bromophenyl)-5,5-difluoro-1,3-oxazinan-2-one
SMILESO=C1N[C@H](c2ccccc2Br)C(F)(F)CO1
InChIInChI=1S/C10H8BrF2NO2/c11-7-4-2-1-3-6(7)8-10(12,13)5-16-9(15)14-8/h1-4,8H,5H2,(H,14,15)/t8-/m1/s1
InChIKeyMIGSXNPCENJMHM-MRVPVSSYSA-N
XLogP2.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.08
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4R)-4-(2-bromophenyl)-5,5-difluoro-1,3-oxazinan-2-one 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)-4-(2,5-dibromophenyl)-5,5-difluoro-1,3-oxazinan-2-one
CID 171188815
(4R)-5,5-difluoro-4-(2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171187816
(4R)-4-(2-bromophenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171186085
(4S)-4-(2-bromo-6-fluorophenyl)-5,5-difluoro-1,3-oxazinan-2-one
CID 171186491
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-(difluoromethoxy)phenyl]-5,5-difluoro-1,3-oxazinan-2-one
CID 171188521
(4R)-5,5-difluoro-4-(3-fluoro-2-hydroxyphenyl)-1,3-oxazinan-2-one
CID 171187611
(4R)-4-(2-chloro-3-fluorophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride
CID 171187982
(4S)-4-(4-bromo-2-fluorophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride
CID 171186201
(4R)-5,5-difluoro-4-(4-methylnaphthalen-1-yl)-1,3-oxazinan-2-one
CID 171188387
(4S)-4-(2,2-difluoro-1,3-benzodioxol-4-yl)-5,5-difluoro-1,3-oxazinan-2-one
CID 171186851

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-bromophenyl)-5,5-difluoro-1,3-oxazinan-2-one?
The IUPAC name of (4R)-4-(2-bromophenyl)-5,5-difluoro-1,3-oxazinan-2-one (CID 171187559) is (4R)-4-(2-bromophenyl)-5,5-difluoro-1,3-oxazinan-2-one.
What is the SMILES notation for (4R)-4-(2-bromophenyl)-5,5-difluoro-1,3-oxazinan-2-one?
The canonical SMILES for (4R)-4-(2-bromophenyl)-5,5-difluoro-1,3-oxazinan-2-one is O=C1N[C@H](c2ccccc2Br)C(F)(F)CO1.
What is the InChIKey of (4R)-4-(2-bromophenyl)-5,5-difluoro-1,3-oxazinan-2-one?
The InChIKey is MIGSXNPCENJMHM-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H8BrF2NO2/c11-7-4-2-1-3-6(7)8-10(12,13)5-16-9(15)14-8/h1-4,8H,5H2,(H,14,15)/t8-/m1/s1.
What are the key properties of (4R)-4-(2-bromophenyl)-5,5-difluoro-1,3-oxazinan-2-one?
(4R)-4-(2-bromophenyl)-5,5-difluoro-1,3-oxazinan-2-one has a molecular weight of 292.08 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-bromophenyl)-5,5-difluoro-1,3-oxazinan-2-one is sourced from PubChem (CID 171187559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).