3-(4-bromo-3-fluorophenoxy)cyclobutan-1-one

C10H8BrFO2 — CID 66368302

IUPAC3-(4-bromo-3-fluorophenoxy)cyclobutan-1-one
SMILESO=C1CC(Oc2ccc(Br)c(F)c2)C1
InChIInChI=1S/C10H8BrFO2/c11-9-2-1-7(5-10(9)12)14-8-3-6(13)4-8/h1-2,5,8H,3-4H2
InChIKeyDQMUZZGBNJWUGH-UHFFFAOYSA-N
MW259.07 g/mol
LogP2.70
Rot. Bonds2

About 3-(4-bromo-3-fluorophenoxy)cyclobutan-1-one

3-(4-bromo-3-fluorophenoxy)cyclobutan-1-one (PubChem CID 66368302) has the molecular formula C10H8BrFO2 and a molecular weight of 259.07 g/mol. Its IUPAC name is 3-(4-bromo-3-fluorophenoxy)cyclobutan-1-one.

Molecular Properties

Compound Name3-(4-bromo-3-fluorophenoxy)cyclobutan-1-one
PubChem CID66368302
Molecular FormulaC10H8BrFO2
Molecular Weight259.07 g/mol
Exact Mass257.97
IUPAC Name3-(4-bromo-3-fluorophenoxy)cyclobutan-1-one
SMILESO=C1CC(Oc2ccc(Br)c(F)c2)C1
InChIInChI=1S/C10H8BrFO2/c11-9-2-1-7(5-10(9)12)14-8-3-6(13)4-8/h1-2,5,8H,3-4H2
InChIKeyDQMUZZGBNJWUGH-UHFFFAOYSA-N
XLogP2.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.07
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-fluorophenoxy)cyclobutan-1-one?
The IUPAC name of 3-(4-bromo-3-fluorophenoxy)cyclobutan-1-one (CID 66368302) is 3-(4-bromo-3-fluorophenoxy)cyclobutan-1-one.
What is the SMILES notation for 3-(4-bromo-3-fluorophenoxy)cyclobutan-1-one?
The canonical SMILES for 3-(4-bromo-3-fluorophenoxy)cyclobutan-1-one is O=C1CC(Oc2ccc(Br)c(F)c2)C1.
What is the InChIKey of 3-(4-bromo-3-fluorophenoxy)cyclobutan-1-one?
The InChIKey is DQMUZZGBNJWUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFO2/c11-9-2-1-7(5-10(9)12)14-8-3-6(13)4-8/h1-2,5,8H,3-4H2.
What are the key properties of 3-(4-bromo-3-fluorophenoxy)cyclobutan-1-one?
3-(4-bromo-3-fluorophenoxy)cyclobutan-1-one has a molecular weight of 259.07 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-fluorophenoxy)cyclobutan-1-one is sourced from PubChem (CID 66368302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).