2-(2-bromo-5-fluorophenoxy)-1-cyclohexylethanone

C14H16BrFO2 — CID 113267861

IUPAC2-(2-bromo-5-fluorophenoxy)-1-cyclohexylethanone
SMILESO=C(COc1cc(F)ccc1Br)C1CCCCC1
InChIInChI=1S/C14H16BrFO2/c15-12-7-6-11(16)8-14(12)18-9-13(17)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2
InChIKeyWQJMGTFCKOGAQK-UHFFFAOYSA-N
MW315.18 g/mol
LogP4.12
Rot. Bonds4

About 2-(2-bromo-5-fluorophenoxy)-1-cyclohexylethanone

2-(2-bromo-5-fluorophenoxy)-1-cyclohexylethanone (PubChem CID 113267861) has the molecular formula C14H16BrFO2 and a molecular weight of 315.18 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenoxy)-1-cyclohexylethanone.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenoxy)-1-cyclohexylethanone
PubChem CID113267861
Molecular FormulaC14H16BrFO2
Molecular Weight315.18 g/mol
Exact Mass314.03
IUPAC Name2-(2-bromo-5-fluorophenoxy)-1-cyclohexylethanone
SMILESO=C(COc1cc(F)ccc1Br)C1CCCCC1
InChIInChI=1S/C14H16BrFO2/c15-12-7-6-11(16)8-14(12)18-9-13(17)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2
InChIKeyWQJMGTFCKOGAQK-UHFFFAOYSA-N
XLogP4.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.18
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-2-(2,5-difluorophenoxy)ethanone
CID 115733445
2-(2-bromophenoxy)-1-cyclohexylethanone
CID 115578561
2-(2-chloro-4-fluorophenoxy)-1-cyclohexylethanone
CID 115578096
2-(2-bromo-5-fluorophenoxy)-N-cyclopentylacetamide
CID 81495219
2-(2-bromo-5-fluorophenoxy)acetamide
CID 81494596
1-cyclohexyl-2-(2-fluoro-3-methylphenoxy)ethanone
CID 103988434
2-(3-bromo-5-fluorophenoxy)-1-cyclohexylethanone
CID 113449047
2-(4-bromo-3-methylphenoxy)-1-cyclohexylethanone
CID 113449053
2-(2-bromo-4-methoxyphenoxy)-1-cyclopentylethanone
CID 104705269
2-(2-bromo-5-fluorophenoxy)-1-[(2R)-2-methylpyrrolidin-1-yl]ethanone
CID 172906952
2-(2-bromo-5-nitrophenoxy)-1-cyclopropylethanone
CID 102975123
1-cyclopropyl-2-(5-fluoro-2-nitrophenoxy)ethanone
CID 63903263

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenoxy)-1-cyclohexylethanone?
The IUPAC name of 2-(2-bromo-5-fluorophenoxy)-1-cyclohexylethanone (CID 113267861) is 2-(2-bromo-5-fluorophenoxy)-1-cyclohexylethanone.
What is the SMILES notation for 2-(2-bromo-5-fluorophenoxy)-1-cyclohexylethanone?
The canonical SMILES for 2-(2-bromo-5-fluorophenoxy)-1-cyclohexylethanone is O=C(COc1cc(F)ccc1Br)C1CCCCC1.
What is the InChIKey of 2-(2-bromo-5-fluorophenoxy)-1-cyclohexylethanone?
The InChIKey is WQJMGTFCKOGAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFO2/c15-12-7-6-11(16)8-14(12)18-9-13(17)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2.
What are the key properties of 2-(2-bromo-5-fluorophenoxy)-1-cyclohexylethanone?
2-(2-bromo-5-fluorophenoxy)-1-cyclohexylethanone has a molecular weight of 315.18 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenoxy)-1-cyclohexylethanone is sourced from PubChem (CID 113267861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).