4-bromo-1-(2-bromoprop-2-enoxy)-2-fluorobenzene

C9H7Br2FO — CID 130721910

IUPAC4-bromo-1-(2-bromoprop-2-enoxy)-2-fluorobenzene
SMILESC=C(Br)COc1ccc(Br)cc1F
InChIInChI=1S/C9H7Br2FO/c1-6(10)5-13-9-3-2-7(11)4-8(9)12/h2-4H,1,5H2
InChIKeyCMZDDSDCVIEDLO-UHFFFAOYSA-N
MW309.96 g/mol
LogP3.88
Rot. Bonds3

About 4-bromo-1-(2-bromoprop-2-enoxy)-2-fluorobenzene

4-bromo-1-(2-bromoprop-2-enoxy)-2-fluorobenzene (PubChem CID 130721910) has the molecular formula C9H7Br2FO and a molecular weight of 309.96 g/mol. Its IUPAC name is 4-bromo-1-(2-bromoprop-2-enoxy)-2-fluorobenzene.

Molecular Properties

Compound Name4-bromo-1-(2-bromoprop-2-enoxy)-2-fluorobenzene
PubChem CID130721910
Molecular FormulaC9H7Br2FO
Molecular Weight309.96 g/mol
Exact Mass307.88
IUPAC Name4-bromo-1-(2-bromoprop-2-enoxy)-2-fluorobenzene
SMILESC=C(Br)COc1ccc(Br)cc1F
InChIInChI=1S/C9H7Br2FO/c1-6(10)5-13-9-3-2-7(11)4-8(9)12/h2-4H,1,5H2
InChIKeyCMZDDSDCVIEDLO-UHFFFAOYSA-N
XLogP3.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.96
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromo-2-fluorophenoxy)-1-cyclopropylethanone
CID 63904402
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2-(4-bromo-2-fluorophenoxy)-1-(2,5-difluorophenyl)ethanone
CID 60626920
1-(azetidin-1-yl)-2-(4-bromo-2-fluorophenoxy)ethanone
CID 78799892
N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide
CID 26929895
O-[2-(4-bromo-2-fluorophenoxy)ethyl]hydroxylamine
CID 83396466
2-(4-bromo-2-fluorophenoxy)acetonitrile
CID 43084322
(1R)-1-[4-bromo-2-(2-bromoprop-2-enoxy)phenyl]ethanamine
CID 102946785
2-(4-bromo-2-fluorophenoxy)-N-prop-2-ynylacetamide
CID 8808257
[5-bromo-2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methanol
CID 89437129
4-bromo-1-fluoro-2-(2-methylidenebutoxy)benzene
CID 114672615
(2S)-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]butanedioic acid
CID 112732904

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2-bromoprop-2-enoxy)-2-fluorobenzene?
The IUPAC name of 4-bromo-1-(2-bromoprop-2-enoxy)-2-fluorobenzene (CID 130721910) is 4-bromo-1-(2-bromoprop-2-enoxy)-2-fluorobenzene.
What is the SMILES notation for 4-bromo-1-(2-bromoprop-2-enoxy)-2-fluorobenzene?
The canonical SMILES for 4-bromo-1-(2-bromoprop-2-enoxy)-2-fluorobenzene is C=C(Br)COc1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-1-(2-bromoprop-2-enoxy)-2-fluorobenzene?
The InChIKey is CMZDDSDCVIEDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Br2FO/c1-6(10)5-13-9-3-2-7(11)4-8(9)12/h2-4H,1,5H2.
What are the key properties of 4-bromo-1-(2-bromoprop-2-enoxy)-2-fluorobenzene?
4-bromo-1-(2-bromoprop-2-enoxy)-2-fluorobenzene has a molecular weight of 309.96 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2-bromoprop-2-enoxy)-2-fluorobenzene is sourced from PubChem (CID 130721910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).