(4R)-4-[3-bromo-5-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride

C11H10BrClF3NO2 — CID 171185109

IUPAC(4R)-4-[3-bromo-5-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride
SMILESCl.O=C1N[C@@H](c2cc(Br)cc(C(F)(F)F)c2)CCO1
InChIInChI=1S/C11H9BrF3NO2.ClH/c12-8-4-6(3-7(5-8)11(13,14)15)9-1-2-18-10(17)16-9;/h3-5,9H,1-2H2,(H,16,17);1H/t9-;/m1./s1
InChIKeyQQIKORXHPVMGLA-SBSPUUFOSA-N
MW360.56 g/mol
LogP4.06
Rot. Bonds1

About (4R)-4-[3-bromo-5-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride

(4R)-4-[3-bromo-5-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride (PubChem CID 171185109) has the molecular formula C11H10BrClF3NO2 and a molecular weight of 360.56 g/mol. Its IUPAC name is (4R)-4-[3-bromo-5-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride.

Molecular Properties

Compound Name(4R)-4-[3-bromo-5-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride
PubChem CID171185109
Molecular FormulaC11H10BrClF3NO2
Molecular Weight360.56 g/mol
Exact Mass358.95
IUPAC Name(4R)-4-[3-bromo-5-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride
SMILESCl.O=C1N[C@@H](c2cc(Br)cc(C(F)(F)F)c2)CCO1
InChIInChI=1S/C11H9BrF3NO2.ClH/c12-8-4-6(3-7(5-8)11(13,14)15)9-1-2-18-10(17)16-9;/h3-5,9H,1-2H2,(H,16,17);1H/t9-;/m1./s1
InChIKeyQQIKORXHPVMGLA-SBSPUUFOSA-N
XLogP4.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.56
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-[3,5-bis(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;hydrochloride
CID 171183721
(4S)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one
CID 171185732
(4R)-4-(3,5-difluorophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184997
(2S)-2-[3-bromo-5-(trifluoromethyl)phenyl]azetidine
CID 131505510
(4R)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride
CID 171184954
(4S)-4-[3-chloro-4-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride
CID 171186001
(4S)-4-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride
CID 171185811
(4S)-4-[2,5-bis(trifluoromethyl)phenyl]-1,3-oxazinan-2-one
CID 171185794
(3S)-3-[3-bromo-5-(trifluoromethyl)phenyl]morpholine
CID 171193208
(4S)-4-[3-methoxy-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 171183951
(4R)-4-(3,5-dihydroxyphenyl)-1,3-oxazinan-2-one
CID 131484934
(4R)-4-[5-bromo-2-(trifluoromethoxy)phenyl]-1,3-oxazinan-2-one;hydrochloride
CID 171185142

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-bromo-5-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride?
The IUPAC name of (4R)-4-[3-bromo-5-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride (CID 171185109) is (4R)-4-[3-bromo-5-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride.
What is the SMILES notation for (4R)-4-[3-bromo-5-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride?
The canonical SMILES for (4R)-4-[3-bromo-5-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride is Cl.O=C1N[C@@H](c2cc(Br)cc(C(F)(F)F)c2)CCO1.
What is the InChIKey of (4R)-4-[3-bromo-5-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride?
The InChIKey is QQIKORXHPVMGLA-SBSPUUFOSA-N. The full InChI is InChI=1S/C11H9BrF3NO2.ClH/c12-8-4-6(3-7(5-8)11(13,14)15)9-1-2-18-10(17)16-9;/h3-5,9H,1-2H2,(H,16,17);1H/t9-;/m1./s1.
What are the key properties of (4R)-4-[3-bromo-5-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride?
(4R)-4-[3-bromo-5-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride has a molecular weight of 360.56 g/mol, XLogP of 4.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[3-bromo-5-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride is sourced from PubChem (CID 171185109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).