2-(3-bromo-5-fluorophenoxy)-1-cyclohexylethanone

C14H16BrFO2 — CID 113449047

IUPAC2-(3-bromo-5-fluorophenoxy)-1-cyclohexylethanone
SMILESO=C(COc1cc(F)cc(Br)c1)C1CCCCC1
InChIInChI=1S/C14H16BrFO2/c15-11-6-12(16)8-13(7-11)18-9-14(17)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2
InChIKeyJMFMOLTUUGMMRX-UHFFFAOYSA-N
MW315.18 g/mol
LogP4.12
Rot. Bonds4

About 2-(3-bromo-5-fluorophenoxy)-1-cyclohexylethanone

2-(3-bromo-5-fluorophenoxy)-1-cyclohexylethanone (PubChem CID 113449047) has the molecular formula C14H16BrFO2 and a molecular weight of 315.18 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenoxy)-1-cyclohexylethanone.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenoxy)-1-cyclohexylethanone
PubChem CID113449047
Molecular FormulaC14H16BrFO2
Molecular Weight315.18 g/mol
Exact Mass314.03
IUPAC Name2-(3-bromo-5-fluorophenoxy)-1-cyclohexylethanone
SMILESO=C(COc1cc(F)cc(Br)c1)C1CCCCC1
InChIInChI=1S/C14H16BrFO2/c15-11-6-12(16)8-13(7-11)18-9-14(17)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2
InChIKeyJMFMOLTUUGMMRX-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-cyclopropyl-2-(3,5-difluorophenoxy)ethanone
CID 63908587
(3-bromo-5-fluorophenyl) cyclohexanecarboxylate
CID 137371569
2-(4-bromophenoxy)-1-cyclohexylethanone
CID 115582228
2-(3-bromo-5-fluorophenoxy)acetic acid
CID 81321991
1-cyclohexyl-2-(3,5-dimethoxyphenoxy)ethanone
CID 115582293
2-(2-bromo-5-fluorophenoxy)-1-cyclohexylethanone
CID 113267861
2-(4-bromo-3-methylphenoxy)-1-cyclohexylethanone
CID 113449053
4-(3-bromo-5-fluorophenoxy)-3-oxobutanoic acid
CID 166063563
N-[2-(3-bromo-5-fluorophenoxy)ethyl]cycloheptanamine
CID 81326014
2-(4-bromo-3-methylphenoxy)-1-cyclopentylethanone
CID 104752208
5-[(3-bromo-5-fluorophenoxy)methyl]oxolane-2-carboxylic acid
CID 81322292
1-bromo-3-cyclohexyloxy-5-fluorobenzene
CID 81332187

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenoxy)-1-cyclohexylethanone?
The IUPAC name of 2-(3-bromo-5-fluorophenoxy)-1-cyclohexylethanone (CID 113449047) is 2-(3-bromo-5-fluorophenoxy)-1-cyclohexylethanone.
What is the SMILES notation for 2-(3-bromo-5-fluorophenoxy)-1-cyclohexylethanone?
The canonical SMILES for 2-(3-bromo-5-fluorophenoxy)-1-cyclohexylethanone is O=C(COc1cc(F)cc(Br)c1)C1CCCCC1.
What is the InChIKey of 2-(3-bromo-5-fluorophenoxy)-1-cyclohexylethanone?
The InChIKey is JMFMOLTUUGMMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFO2/c15-11-6-12(16)8-13(7-11)18-9-14(17)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2.
What are the key properties of 2-(3-bromo-5-fluorophenoxy)-1-cyclohexylethanone?
2-(3-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-(3-bromo-5-fluorophenoxy)-1-cyclohexylethanone is sourced from PubChem (CID 113449047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).