6-(2-bromo-4-fluorophenyl)oxan-3-one

C11H10BrFO2 — CID 146417524

IUPAC6-(2-bromo-4-fluorophenyl)oxan-3-one
SMILESO=C1CCC(c2ccc(F)cc2Br)OC1
InChIInChI=1S/C11H10BrFO2/c12-10-5-7(13)1-3-9(10)11-4-2-8(14)6-15-11/h1,3,5,11H,2,4,6H2
InChIKeyHMRNZEAXTWGOOY-UHFFFAOYSA-N
MW273.10 g/mol
LogP3.01
Rot. Bonds1

About 6-(2-bromo-4-fluorophenyl)oxan-3-one

6-(2-bromo-4-fluorophenyl)oxan-3-one (PubChem CID 146417524) has the molecular formula C11H10BrFO2 and a molecular weight of 273.10 g/mol. Its IUPAC name is 6-(2-bromo-4-fluorophenyl)oxan-3-one.

Molecular Properties

Compound Name6-(2-bromo-4-fluorophenyl)oxan-3-one
PubChem CID146417524
Molecular FormulaC11H10BrFO2
Molecular Weight273.10 g/mol
Exact Mass271.98
IUPAC Name6-(2-bromo-4-fluorophenyl)oxan-3-one
SMILESO=C1CCC(c2ccc(F)cc2Br)OC1
InChIInChI=1S/C11H10BrFO2/c12-10-5-7(13)1-3-9(10)11-4-2-8(14)6-15-11/h1,3,5,11H,2,4,6H2
InChIKeyHMRNZEAXTWGOOY-UHFFFAOYSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.10
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-fluorophenyl)morpholine
CID 83734450
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(2S)-2-(2-bromo-4-fluorophenyl)azetidine
CID 131131441
(2R)-2-(2-bromo-4-fluorophenyl)azetidine;hydrochloride
CID 171197171
(4R)-4-(2-bromo-4-fluorophenyl)-5,5-dimethyl-1,3-oxazinan-2-one
CID 171186369
2-(2-bromo-4-methylphenyl)-7-fluoro-2,3-dihydrochromen-4-one
CID 114674816
2-(2-bromo-4-fluorophenyl)-5,5-difluorooxane;tert-butyl 2-[2-(5,5-difluorooxan-2-yl)-5-fluorophenyl]acetate
CID 158276986
3-(4-fluoro-2-hydroxyphenyl)cyclopentan-1-one
CID 130044703
2-(2-bromo-4-fluorophenyl)-5-methylpyrrolidine
CID 146633764
3-(2,5-difluorophenyl)cyclopentan-1-one
CID 64521922
2-[5-fluoro-2-(oxan-2-yl)phenyl]acetic acid
CID 146417244
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CID 130678809

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromo-4-fluorophenyl)oxan-3-one?
The IUPAC name of 6-(2-bromo-4-fluorophenyl)oxan-3-one (CID 146417524) is 6-(2-bromo-4-fluorophenyl)oxan-3-one.
What is the SMILES notation for 6-(2-bromo-4-fluorophenyl)oxan-3-one?
The canonical SMILES for 6-(2-bromo-4-fluorophenyl)oxan-3-one is O=C1CCC(c2ccc(F)cc2Br)OC1.
What is the InChIKey of 6-(2-bromo-4-fluorophenyl)oxan-3-one?
The InChIKey is HMRNZEAXTWGOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFO2/c12-10-5-7(13)1-3-9(10)11-4-2-8(14)6-15-11/h1,3,5,11H,2,4,6H2.
What are the key properties of 6-(2-bromo-4-fluorophenyl)oxan-3-one?
6-(2-bromo-4-fluorophenyl)oxan-3-one has a molecular weight of 273.10 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromo-4-fluorophenyl)oxan-3-one is sourced from PubChem (CID 146417524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).