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

C10H8BrClF3NO3 — CID 171184502

IUPAC(4R)-4-[5-bromo-2-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one;hydrochloride
SMILESCl.O=C1N[C@H](c2cc(Br)ccc2OC(F)(F)F)CO1
InChIInChI=1S/C10H7BrF3NO3.ClH/c11-5-1-2-8(18-10(12,13)14)6(3-5)7-4-17-9(16)15-7;/h1-3,7H,4H2,(H,15,16);1H/t7-;/m0./s1
InChIKeyKWFMVZZOZREKQX-FJXQXJEOSA-N
MW362.53 g/mol
LogP3.55
Rot. Bonds2

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

(4R)-4-[5-bromo-2-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one;hydrochloride (PubChem CID 171184502) has the molecular formula C10H8BrClF3NO3 and a molecular weight of 362.53 g/mol. Its IUPAC name is (4R)-4-[5-bromo-2-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name(4R)-4-[5-bromo-2-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one;hydrochloride
PubChem CID171184502
Molecular FormulaC10H8BrClF3NO3
Molecular Weight362.53 g/mol
Exact Mass360.93
IUPAC Name(4R)-4-[5-bromo-2-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one;hydrochloride
SMILESCl.O=C1N[C@H](c2cc(Br)ccc2OC(F)(F)F)CO1
InChIInChI=1S/C10H7BrF3NO3.ClH/c11-5-1-2-8(18-10(12,13)14)6(3-5)7-4-17-9(16)15-7;/h1-3,7H,4H2,(H,15,16);1H/t7-;/m0./s1
InChIKeyKWFMVZZOZREKQX-FJXQXJEOSA-N
XLogP3.55
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.53
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[5-bromo-2-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one;hydrochloride?
The IUPAC name of (4R)-4-[5-bromo-2-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one;hydrochloride (CID 171184502) is (4R)-4-[5-bromo-2-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one;hydrochloride.
What is the SMILES notation for (4R)-4-[5-bromo-2-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one;hydrochloride?
The canonical SMILES for (4R)-4-[5-bromo-2-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one;hydrochloride is Cl.O=C1N[C@H](c2cc(Br)ccc2OC(F)(F)F)CO1.
What is the InChIKey of (4R)-4-[5-bromo-2-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one;hydrochloride?
The InChIKey is KWFMVZZOZREKQX-FJXQXJEOSA-N. The full InChI is InChI=1S/C10H7BrF3NO3.ClH/c11-5-1-2-8(18-10(12,13)14)6(3-5)7-4-17-9(16)15-7;/h1-3,7H,4H2,(H,15,16);1H/t7-;/m0./s1.
What are the key properties of (4R)-4-[5-bromo-2-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one;hydrochloride?
(4R)-4-[5-bromo-2-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one;hydrochloride has a molecular weight of 362.53 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[5-bromo-2-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one;hydrochloride is sourced from PubChem (CID 171184502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).