5-[2-bromo-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

C10H7BrF3NO2 — CID 166951567

IUPAC5-[2-bromo-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(c2cc(C(F)(F)F)ccc2Br)O1
InChIInChI=1S/C10H7BrF3NO2/c11-7-2-1-5(10(12,13)14)3-6(7)8-4-15-9(16)17-8/h1-3,8H,4H2,(H,15,16)
InChIKeyKHHMDXPBIVINJJ-UHFFFAOYSA-N
MW310.07 g/mol
LogP3.25
Rot. Bonds1

About 5-[2-bromo-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

5-[2-bromo-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 166951567) has the molecular formula C10H7BrF3NO2 and a molecular weight of 310.07 g/mol. Its IUPAC name is 5-[2-bromo-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[2-bromo-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
PubChem CID166951567
Molecular FormulaC10H7BrF3NO2
Molecular Weight310.07 g/mol
Exact Mass308.96
IUPAC Name5-[2-bromo-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(c2cc(C(F)(F)F)ccc2Br)O1
InChIInChI=1S/C10H7BrF3NO2/c11-7-2-1-5(10(12,13)14)3-6(7)8-4-15-9(16)17-8/h1-3,8H,4H2,(H,15,16)
InChIKeyKHHMDXPBIVINJJ-UHFFFAOYSA-N
XLogP3.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.07
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 97000628
5-(2-bromophenyl)-1,3-oxazolidin-2-one
CID 82647013
(4R)-4-[2-bromo-5-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 171252545
5-[2-bromo-5-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
CID 123632949
3-tert-butyl-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 106986085
(4S)-4-[2,5-bis(trifluoromethyl)phenyl]-1,3-oxazinan-2-one
CID 171185794
4-[2-bromo-5-(trifluoromethyl)phenyl]-1,2,4-triazolidine-3,5-dione
CID 114043024
1-bromo-5-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
CID 141127445
1-[2-bromo-4-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 154703612
6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-ol
CID 23160669
(5S)-5-(3-methylphenyl)-1,3-oxazolidin-2-one
CID 69282063
2-bromo-N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)benzamide
CID 104645323

Frequently Asked Questions

What is the IUPAC name of 5-[2-bromo-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[2-bromo-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (CID 166951567) is 5-[2-bromo-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[2-bromo-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[2-bromo-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is O=C1NCC(c2cc(C(F)(F)F)ccc2Br)O1.
What is the InChIKey of 5-[2-bromo-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is KHHMDXPBIVINJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF3NO2/c11-7-2-1-5(10(12,13)14)3-6(7)8-4-15-9(16)17-8/h1-3,8H,4H2,(H,15,16).
What are the key properties of 5-[2-bromo-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
5-[2-bromo-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 310.07 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-bromo-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 166951567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).