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

C9H8BrF — CID 86644757

IUPAC1-(1-bromoprop-1-en-2-yl)-4-fluorobenzene
SMILESCC(=CBr)c1ccc(F)cc1
InChIInChI=1S/C9H8BrF/c1-7(6-10)8-2-4-9(11)5-3-8/h2-6H,1H3
InChIKeyQGUXISBWKDNKGJ-UHFFFAOYSA-N
MW215.07 g/mol
LogP3.58
Rot. Bonds1

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

1-(1-bromoprop-1-en-2-yl)-4-fluorobenzene (PubChem CID 86644757) has the molecular formula C9H8BrF and a molecular weight of 215.07 g/mol. Its IUPAC name is 1-(1-bromoprop-1-en-2-yl)-4-fluorobenzene.

Molecular Properties

Compound Name1-(1-bromoprop-1-en-2-yl)-4-fluorobenzene
PubChem CID86644757
Molecular FormulaC9H8BrF
Molecular Weight215.07 g/mol
Exact Mass213.98
IUPAC Name1-(1-bromoprop-1-en-2-yl)-4-fluorobenzene
SMILESCC(=CBr)c1ccc(F)cc1
InChIInChI=1S/C9H8BrF/c1-7(6-10)8-2-4-9(11)5-3-8/h2-6H,1H3
InChIKeyQGUXISBWKDNKGJ-UHFFFAOYSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.07
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromoprop-1-en-2-ylbenzene
CID 5152757
1-fluoro-4-(1-methylsulfanylprop-1-en-2-yl)benzene
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ethane;1-fluoro-4-[(E)-pent-2-en-2-yl]benzene
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4-[(E)-1-bromoprop-1-en-2-yl]-1,2-dichlorobenzene
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(E)-3-[4-(4-fluorophenyl)phenyl]but-2-en-1-ol
CID 58816048
1-(2-bromo-1-phenylethenyl)-4-fluorobenzene
CID 172688289
(E)-3-(4-fluorophenyl)-N-methylbut-2-enamide
CID 144683992
1-[1,2-dibromo-2-(4-fluorophenyl)ethenyl]-4-fluorobenzene
CID 139674428
1-(4-fluorophenyl)ethanone;methanol
CID 160697688
(2E,4E)-5-(4-fluorophenyl)-N,2-dimethylhexa-2,4-dien-1-amine
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2-[amino-(4-fluorophenyl)methylidene]propanedinitrile
CID 89407680

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromoprop-1-en-2-yl)-4-fluorobenzene?
The IUPAC name of 1-(1-bromoprop-1-en-2-yl)-4-fluorobenzene (CID 86644757) is 1-(1-bromoprop-1-en-2-yl)-4-fluorobenzene.
What is the SMILES notation for 1-(1-bromoprop-1-en-2-yl)-4-fluorobenzene?
The canonical SMILES for 1-(1-bromoprop-1-en-2-yl)-4-fluorobenzene is CC(=CBr)c1ccc(F)cc1.
What is the InChIKey of 1-(1-bromoprop-1-en-2-yl)-4-fluorobenzene?
The InChIKey is QGUXISBWKDNKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF/c1-7(6-10)8-2-4-9(11)5-3-8/h2-6H,1H3.
What are the key properties of 1-(1-bromoprop-1-en-2-yl)-4-fluorobenzene?
1-(1-bromoprop-1-en-2-yl)-4-fluorobenzene has a molecular weight of 215.07 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromoprop-1-en-2-yl)-4-fluorobenzene is sourced from PubChem (CID 86644757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).