[(E)-3-bromo-1-fluoroprop-1-en-2-yl]benzene

C9H8BrF — CID 70428664

IUPAC[(E)-3-bromo-1-fluoroprop-1-en-2-yl]benzene
SMILESF/C=C(/CBr)c1ccccc1
InChIInChI=1S/C9H8BrF/c10-6-9(7-11)8-4-2-1-3-5-8/h1-5,7H,6H2/b9-7-
InChIKeyXJNVRJONYXMUNS-CLFYSBASSA-N
MW215.07 g/mol
LogP3.39
Rot. Bonds2

About [(E)-3-bromo-1-fluoroprop-1-en-2-yl]benzene

[(E)-3-bromo-1-fluoroprop-1-en-2-yl]benzene (PubChem CID 70428664) has the molecular formula C9H8BrF and a molecular weight of 215.07 g/mol. Its IUPAC name is [(E)-3-bromo-1-fluoroprop-1-en-2-yl]benzene.

Molecular Properties

Compound Name[(E)-3-bromo-1-fluoroprop-1-en-2-yl]benzene
PubChem CID70428664
Molecular FormulaC9H8BrF
Molecular Weight215.07 g/mol
Exact Mass213.98
IUPAC Name[(E)-3-bromo-1-fluoroprop-1-en-2-yl]benzene
SMILESF/C=C(/CBr)c1ccccc1
InChIInChI=1S/C9H8BrF/c10-6-9(7-11)8-4-2-1-3-5-8/h1-5,7H,6H2/b9-7-
InChIKeyXJNVRJONYXMUNS-CLFYSBASSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.07
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-fluorobut-1-en-2-ylbenzene
CID 67823152
5-bromo-4-phenylpent-3-en-2-one
CID 54089835
[(E)-3-fluoro-2-phenylprop-2-enyl]hydrazine
CID 11658488
(3-fluoro-2-phenylprop-2-enyl)hydrazine
CID 53426836
2-bromo-1-phenylethanone;hydrochloride
CID 172844250
bromomethane;2-bromo-1-phenylethanone;ethane
CID 90907138
(E)-2-fluoro-1-phenylethenolate
CID 135042724
[2-fluoro-1-(2-fluoro-1-phenylethenyl)sulfanylethenyl]benzene
CID 66729830
2-bromo-1-phenylethanone;toluene
CID 142995126
(3-bromo-2-phenylprop-2-enyl)azanium
CID 163875643
[(Z)-5-bromo-1-phenylpent-2-en-2-yl]benzene
CID 19703232
(4-bromo-1-phenylbut-1-enyl)benzene
CID 10401774

Frequently Asked Questions

What is the IUPAC name of [(E)-3-bromo-1-fluoroprop-1-en-2-yl]benzene?
The IUPAC name of [(E)-3-bromo-1-fluoroprop-1-en-2-yl]benzene (CID 70428664) is [(E)-3-bromo-1-fluoroprop-1-en-2-yl]benzene.
What is the SMILES notation for [(E)-3-bromo-1-fluoroprop-1-en-2-yl]benzene?
The canonical SMILES for [(E)-3-bromo-1-fluoroprop-1-en-2-yl]benzene is F/C=C(/CBr)c1ccccc1.
What is the InChIKey of [(E)-3-bromo-1-fluoroprop-1-en-2-yl]benzene?
The InChIKey is XJNVRJONYXMUNS-CLFYSBASSA-N. The full InChI is InChI=1S/C9H8BrF/c10-6-9(7-11)8-4-2-1-3-5-8/h1-5,7H,6H2/b9-7-.
What are the key properties of [(E)-3-bromo-1-fluoroprop-1-en-2-yl]benzene?
[(E)-3-bromo-1-fluoroprop-1-en-2-yl]benzene has a molecular weight of 215.07 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-bromo-1-fluoroprop-1-en-2-yl]benzene is sourced from PubChem (CID 70428664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).