5-(5-bromo-2-fluorophenyl)-1,3-oxazinan-2-one

C10H9BrFNO2 — CID 123940141

IUPAC5-(5-bromo-2-fluorophenyl)-1,3-oxazinan-2-one
SMILESO=C1NCC(c2cc(Br)ccc2F)CO1
InChIInChI=1S/C10H9BrFNO2/c11-7-1-2-9(12)8(3-7)6-4-13-10(14)15-5-6/h1-3,6H,4-5H2,(H,13,14)
InChIKeyUXGUKADLVZINKD-UHFFFAOYSA-N
MW274.09 g/mol
LogP2.41
Rot. Bonds1

About 5-(5-bromo-2-fluorophenyl)-1,3-oxazinan-2-one

5-(5-bromo-2-fluorophenyl)-1,3-oxazinan-2-one (PubChem CID 123940141) has the molecular formula C10H9BrFNO2 and a molecular weight of 274.09 g/mol. Its IUPAC name is 5-(5-bromo-2-fluorophenyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name5-(5-bromo-2-fluorophenyl)-1,3-oxazinan-2-one
PubChem CID123940141
Molecular FormulaC10H9BrFNO2
Molecular Weight274.09 g/mol
Exact Mass272.98
IUPAC Name5-(5-bromo-2-fluorophenyl)-1,3-oxazinan-2-one
SMILESO=C1NCC(c2cc(Br)ccc2F)CO1
InChIInChI=1S/C10H9BrFNO2/c11-7-1-2-9(12)8(3-7)6-4-13-10(14)15-5-6/h1-3,6H,4-5H2,(H,13,14)
InChIKeyUXGUKADLVZINKD-UHFFFAOYSA-N
XLogP2.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.09
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)ethyl N-[2-(3-fluorophenyl)ethyl]carbamate
CID 6736622
tert-butyl N-[(3S)-3-[(5-bromo-2-fluorophenyl)methyl]-4-hydroxybutyl]carbamate
CID 146655252
(5S)-5-(5-bromo-2-fluorophenyl)-1,3-oxazinan-2-one
CID 164018354
[(1S)-2-(5-bromo-2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] tert-butyl carbonate
CID 170438357
[(1R)-2-(5-bromo-2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] tert-butyl carbonate
CID 170438385
5-(3-Fluorophenyl)-1,3-oxazinan-2-one
CID 84720415
5-(4-Fluorophenyl)-1,3-oxazinan-2-one
CID 84720416
5-(2-Fluorophenyl)-1,3-oxazinan-2-one
CID 84720417
5-(2-Fluorophenyl)-5-methyl-1,3-oxazinan-2-one
CID 105462651
5-(3-Fluorophenyl)-5-methyl-1,3-oxazinan-2-one
CID 105462652
5-(4-Fluorophenyl)-5-methyl-1,3-oxazinan-2-one
CID 105462653
5-[2-(Trifluoromethyl)phenyl]-1,3-oxazinan-2-one
CID 105505495

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-fluorophenyl)-1,3-oxazinan-2-one?
The IUPAC name of 5-(5-bromo-2-fluorophenyl)-1,3-oxazinan-2-one (CID 123940141) is 5-(5-bromo-2-fluorophenyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 5-(5-bromo-2-fluorophenyl)-1,3-oxazinan-2-one?
The canonical SMILES for 5-(5-bromo-2-fluorophenyl)-1,3-oxazinan-2-one is O=C1NCC(c2cc(Br)ccc2F)CO1.
What is the InChIKey of 5-(5-bromo-2-fluorophenyl)-1,3-oxazinan-2-one?
The InChIKey is UXGUKADLVZINKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFNO2/c11-7-1-2-9(12)8(3-7)6-4-13-10(14)15-5-6/h1-3,6H,4-5H2,(H,13,14).
What are the key properties of 5-(5-bromo-2-fluorophenyl)-1,3-oxazinan-2-one?
5-(5-bromo-2-fluorophenyl)-1,3-oxazinan-2-one has a molecular weight of 274.09 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-fluorophenyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 123940141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).