1-bromo-3-(3-fluoroprop-1-en-2-yl)benzene

C9H8BrF — CID 138039782

IUPAC1-bromo-3-(3-fluoroprop-1-en-2-yl)benzene
SMILESC=C(CF)c1cccc(Br)c1
InChIInChI=1S/C9H8BrF/c1-7(6-11)8-3-2-4-9(10)5-8/h2-5H,1,6H2
InChIKeyVIOQJBNGYWSWDR-UHFFFAOYSA-N
MW215.06 g/mol
LogP3.43
Rot. Bonds2

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

1-bromo-3-(3-fluoroprop-1-en-2-yl)benzene (PubChem CID 138039782) has the molecular formula C9H8BrF and a molecular weight of 215.06 g/mol. Its IUPAC name is 1-bromo-3-(3-fluoroprop-1-en-2-yl)benzene.

Molecular Properties

Compound Name1-bromo-3-(3-fluoroprop-1-en-2-yl)benzene
PubChem CID138039782
Molecular FormulaC9H8BrF
Molecular Weight215.06 g/mol
Exact Mass213.98
IUPAC Name1-bromo-3-(3-fluoroprop-1-en-2-yl)benzene
SMILESC=C(CF)c1cccc(Br)c1
InChIInChI=1S/C9H8BrF/c1-7(6-11)8-3-2-4-9(10)5-8/h2-5H,1,6H2
InChIKeyVIOQJBNGYWSWDR-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1,3-bis(but-1-en-2-yl)benzene
CID 19692093
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CID 15456668
1-bromo-3-(4-methoxybut-2-en-2-yl)benzene
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1-bromo-3-[(2E,4Z)-hexa-2,4-dien-2-yl]benzene
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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(3-fluoroprop-1-en-2-yl)benzene?
The IUPAC name of 1-bromo-3-(3-fluoroprop-1-en-2-yl)benzene (CID 138039782) is 1-bromo-3-(3-fluoroprop-1-en-2-yl)benzene.
What is the SMILES notation for 1-bromo-3-(3-fluoroprop-1-en-2-yl)benzene?
The canonical SMILES for 1-bromo-3-(3-fluoroprop-1-en-2-yl)benzene is C=C(CF)c1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-(3-fluoroprop-1-en-2-yl)benzene?
The InChIKey is VIOQJBNGYWSWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF/c1-7(6-11)8-3-2-4-9(10)5-8/h2-5H,1,6H2.
What are the key properties of 1-bromo-3-(3-fluoroprop-1-en-2-yl)benzene?
1-bromo-3-(3-fluoroprop-1-en-2-yl)benzene has a molecular weight of 215.06 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(3-fluoroprop-1-en-2-yl)benzene is sourced from PubChem (CID 138039782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).