1-[(E)-4-bromobut-2-enoxy]-2,3-difluorobenzene

C10H9BrF2O — CID 67217973

IUPAC1-[(E)-4-bromobut-2-enoxy]-2,3-difluorobenzene
SMILESFc1cccc(OC/C=C/CBr)c1F
InChIInChI=1S/C10H9BrF2O/c11-6-1-2-7-14-9-5-3-4-8(12)10(9)13/h1-5H,6-7H2/b2-1+
InChIKeyGQALQSQPOQXLGV-OWOJBTEDSA-N
MW263.08 g/mol
LogP3.29
Rot. Bonds4

About 1-[(E)-4-bromobut-2-enoxy]-2,3-difluorobenzene

1-[(E)-4-bromobut-2-enoxy]-2,3-difluorobenzene (PubChem CID 67217973) has the molecular formula C10H9BrF2O and a molecular weight of 263.08 g/mol. Its IUPAC name is 1-[(E)-4-bromobut-2-enoxy]-2,3-difluorobenzene.

Molecular Properties

Compound Name1-[(E)-4-bromobut-2-enoxy]-2,3-difluorobenzene
PubChem CID67217973
Molecular FormulaC10H9BrF2O
Molecular Weight263.08 g/mol
Exact Mass261.98
IUPAC Name1-[(E)-4-bromobut-2-enoxy]-2,3-difluorobenzene
SMILESFc1cccc(OC/C=C/CBr)c1F
InChIInChI=1S/C10H9BrF2O/c11-6-1-2-7-14-9-5-3-4-8(12)10(9)13/h1-5H,6-7H2/b2-1+
InChIKeyGQALQSQPOQXLGV-OWOJBTEDSA-N
XLogP3.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.08
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-bromo-2-[(E)-4-bromobut-2-enoxy]benzene
CID 102582229
CID 175374084
CID 175374084
1-[7-(2,3-difluorophenoxy)heptoxy]-2,3-difluorobenzene
CID 71446254
2-(2,3-difluorophenoxy)ethanamine
CID 63036211
1-[[2-[(2,3-difluorophenoxy)methyl]phenyl]methoxy]-2,3-difluorobenzene
CID 174920306
1-bromo-4-[4-(2-fluorophenoxy)but-2-enoxy]benzene
CID 54064212
3-(2,3-difluorophenoxy)propan-1-ol
CID 63037951
methyl 2-(2,3-difluorophenoxy)acetate
CID 63037600
4-(2,3-difluorophenoxy)butoxyphosphane
CID 59036591
1-[(3-bromophenyl)methoxy]-2,3-difluorobenzene
CID 55145542
methyl 4-(2,3-difluorophenoxy)-2-ethylbut-2-enoate
CID 77102358
1,2-difluoro-3-(2-methylsulfanylethoxy)benzene
CID 103907571

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4-bromobut-2-enoxy]-2,3-difluorobenzene?
The IUPAC name of 1-[(E)-4-bromobut-2-enoxy]-2,3-difluorobenzene (CID 67217973) is 1-[(E)-4-bromobut-2-enoxy]-2,3-difluorobenzene.
What is the SMILES notation for 1-[(E)-4-bromobut-2-enoxy]-2,3-difluorobenzene?
The canonical SMILES for 1-[(E)-4-bromobut-2-enoxy]-2,3-difluorobenzene is Fc1cccc(OC/C=C/CBr)c1F.
What is the InChIKey of 1-[(E)-4-bromobut-2-enoxy]-2,3-difluorobenzene?
The InChIKey is GQALQSQPOQXLGV-OWOJBTEDSA-N. The full InChI is InChI=1S/C10H9BrF2O/c11-6-1-2-7-14-9-5-3-4-8(12)10(9)13/h1-5H,6-7H2/b2-1+.
What are the key properties of 1-[(E)-4-bromobut-2-enoxy]-2,3-difluorobenzene?
1-[(E)-4-bromobut-2-enoxy]-2,3-difluorobenzene has a molecular weight of 263.08 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4-bromobut-2-enoxy]-2,3-difluorobenzene is sourced from PubChem (CID 67217973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).