1-(3-bromoprop-1-en-2-yl)-4-fluorobenzene

C9H8BrF — CID 11694212

IUPAC1-(3-bromoprop-1-en-2-yl)-4-fluorobenzene
SMILESC=C(CBr)c1ccc(F)cc1
InChIInChI=1S/C9H8BrF/c1-7(6-10)8-2-4-9(11)5-3-8/h2-5H,1,6H2
InChIKeyUVIKSXSOZVWUPM-UHFFFAOYSA-N
MW215.06 g/mol
LogP3.23
Rot. Bonds2

About 1-(3-bromoprop-1-en-2-yl)-4-fluorobenzene

1-(3-bromoprop-1-en-2-yl)-4-fluorobenzene (PubChem CID 11694212) has the molecular formula C9H8BrF and a molecular weight of 215.06 g/mol. Its IUPAC name is 1-(3-bromoprop-1-en-2-yl)-4-fluorobenzene.

Molecular Properties

Compound Name1-(3-bromoprop-1-en-2-yl)-4-fluorobenzene
PubChem CID11694212
Molecular FormulaC9H8BrF
Molecular Weight215.06 g/mol
Exact Mass213.98
IUPAC Name1-(3-bromoprop-1-en-2-yl)-4-fluorobenzene
SMILESC=C(CBr)c1ccc(F)cc1
InChIInChI=1S/C9H8BrF/c1-7(6-10)8-2-4-9(11)5-3-8/h2-5H,1,6H2
InChIKeyUVIKSXSOZVWUPM-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.06
LogP ≤ 53.23
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-(3-bromoprop-1-en-2-yl)-4-chlorobenzene
CID 11253250
4-(3-bromoprop-1-en-2-yl)benzonitrile
CID 130210199
1-[4-(4-fluorophenyl)phenyl]ethenol
CID 143634078
N,N-dibenzyl-2-(4-fluorophenyl)prop-2-en-1-amine
CID 15536548
1-fluoro-4-(3-isocyanatoprop-1-en-2-yl)benzene
CID 117269126
1-[2-(4-fluorophenyl)prop-2-enyl]-1-methylhydrazine;hydrochloride
CID 11521374
1-ethyl-2-[2-(4-fluorophenyl)prop-2-enyl]hydrazine
CID 11630003
1-(4-fluorophenyl)ethenylsilane
CID 175020263
3-bromoprop-1-en-2-ylbenzene;3-chloroprop-1-en-2-ylbenzene
CID 70464335
1-(4-fluorophenyl)-N,N-dimethylethenamine
CID 54285953
1-ethyl-1-[2-(4-fluorophenyl)prop-2-enyl]hydrazine
CID 11550408
1-[1,2-dibromo-2-(4-fluorophenyl)ethenyl]-4-fluorobenzene
CID 139674428

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromoprop-1-en-2-yl)-4-fluorobenzene?
The IUPAC name of 1-(3-bromoprop-1-en-2-yl)-4-fluorobenzene (CID 11694212) is 1-(3-bromoprop-1-en-2-yl)-4-fluorobenzene.
What is the SMILES notation for 1-(3-bromoprop-1-en-2-yl)-4-fluorobenzene?
The canonical SMILES for 1-(3-bromoprop-1-en-2-yl)-4-fluorobenzene is C=C(CBr)c1ccc(F)cc1.
What is the InChIKey of 1-(3-bromoprop-1-en-2-yl)-4-fluorobenzene?
The InChIKey is UVIKSXSOZVWUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF/c1-7(6-10)8-2-4-9(11)5-3-8/h2-5H,1,6H2.
What are the key properties of 1-(3-bromoprop-1-en-2-yl)-4-fluorobenzene?
1-(3-bromoprop-1-en-2-yl)-4-fluorobenzene has a molecular weight of 215.06 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromoprop-1-en-2-yl)-4-fluorobenzene is sourced from PubChem (CID 11694212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).