4-(2-bromo-4-fluorophenoxy)butan-2-one

C10H10BrFO2 — CID 60666649

IUPAC4-(2-bromo-4-fluorophenoxy)butan-2-one
SMILESCC(=O)CCOc1ccc(F)cc1Br
InChIInChI=1S/C10H10BrFO2/c1-7(13)4-5-14-10-3-2-8(12)6-9(10)11/h2-3,6H,4-5H2,1H3
InChIKeyCSXMAPQGSSWIFP-UHFFFAOYSA-N
MW261.09 g/mol
LogP2.95
Rot. Bonds4

About 4-(2-bromo-4-fluorophenoxy)butan-2-one

4-(2-bromo-4-fluorophenoxy)butan-2-one (PubChem CID 60666649) has the molecular formula C10H10BrFO2 and a molecular weight of 261.09 g/mol. Its IUPAC name is 4-(2-bromo-4-fluorophenoxy)butan-2-one.

Molecular Properties

Compound Name4-(2-bromo-4-fluorophenoxy)butan-2-one
PubChem CID60666649
Molecular FormulaC10H10BrFO2
Molecular Weight261.09 g/mol
Exact Mass259.98
IUPAC Name4-(2-bromo-4-fluorophenoxy)butan-2-one
SMILESCC(=O)CCOc1ccc(F)cc1Br
InChIInChI=1S/C10H10BrFO2/c1-7(13)4-5-14-10-3-2-8(12)6-9(10)11/h2-3,6H,4-5H2,1H3
InChIKeyCSXMAPQGSSWIFP-UHFFFAOYSA-N
XLogP2.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.09
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-fluoro-1-(3-methylbut-3-enoxy)benzene
CID 114472657
4-(2-bromo-4-methoxyphenoxy)butan-2-one
CID 104708081
3-(2-bromo-4-fluorophenoxy)-N'-hydroxypropanimidamide
CID 24694064
5-(4-fluoro-2-methylphenoxy)pentan-2-one
CID 59148010
2-(2-bromo-4-fluorophenoxy)ethanamine
CID 22688771
propyl 2-(2-bromo-4-fluorophenoxy)acetate
CID 78907900
4-(2-fluorophenoxy)butan-2-one
CID 28948853
(2-bromo-4-fluorophenyl) butanoate
CID 537734
2-(2-bromo-4-fluorophenoxy)-N-methoxyacetamide
CID 51279328
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-methylamino]acetic acid
CID 43239764
2-bromo-1-(3-ethylsulfanylpropoxy)-4-fluorobenzene
CID 115649833
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N,N-dimethylacetamide
CID 8807867

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-fluorophenoxy)butan-2-one?
The IUPAC name of 4-(2-bromo-4-fluorophenoxy)butan-2-one (CID 60666649) is 4-(2-bromo-4-fluorophenoxy)butan-2-one.
What is the SMILES notation for 4-(2-bromo-4-fluorophenoxy)butan-2-one?
The canonical SMILES for 4-(2-bromo-4-fluorophenoxy)butan-2-one is CC(=O)CCOc1ccc(F)cc1Br.
What is the InChIKey of 4-(2-bromo-4-fluorophenoxy)butan-2-one?
The InChIKey is CSXMAPQGSSWIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO2/c1-7(13)4-5-14-10-3-2-8(12)6-9(10)11/h2-3,6H,4-5H2,1H3.
What are the key properties of 4-(2-bromo-4-fluorophenoxy)butan-2-one?
4-(2-bromo-4-fluorophenoxy)butan-2-one has a molecular weight of 261.09 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-fluorophenoxy)butan-2-one is sourced from PubChem (CID 60666649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).