1-[(Z)-2-bromo-1-fluoroethenyl]-4-methylbenzene

C9H8BrF — CID 125477335

IUPAC1-[(Z)-2-bromo-1-fluoroethenyl]-4-methylbenzene
SMILESCc1ccc(/C(F)=C/Br)cc1
InChIInChI=1S/C9H8BrF/c1-7-2-4-8(5-3-7)9(11)6-10/h2-6H,1H3/b9-6-
InChIKeyLKDLHWARABXEPQ-TWGQIWQCSA-N
MW215.07 g/mol
LogP3.66
Rot. Bonds1

About 1-[(Z)-2-bromo-1-fluoroethenyl]-4-methylbenzene

1-[(Z)-2-bromo-1-fluoroethenyl]-4-methylbenzene (PubChem CID 125477335) has the molecular formula C9H8BrF and a molecular weight of 215.07 g/mol. Its IUPAC name is 1-[(Z)-2-bromo-1-fluoroethenyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[(Z)-2-bromo-1-fluoroethenyl]-4-methylbenzene
PubChem CID125477335
Molecular FormulaC9H8BrF
Molecular Weight215.07 g/mol
Exact Mass213.98
IUPAC Name1-[(Z)-2-bromo-1-fluoroethenyl]-4-methylbenzene
SMILESCc1ccc(/C(F)=C/Br)cc1
InChIInChI=1S/C9H8BrF/c1-7-2-4-8(5-3-7)9(11)6-10/h2-6H,1H3/b9-6-
InChIKeyLKDLHWARABXEPQ-TWGQIWQCSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(Z)-2-bromo-1-fluoroethenyl]-4-tert-butylbenzene
CID 125477226
1-[(Z)-2-bromo-1-fluoroethenyl]-4-chlorobenzene
CID 125477288
1-[(Z)-but-2-en-2-yl]-4-methylbenzene
CID 58843251
1-(4-methylphenyl)prop-1-en-1-ol
CID 67275749
1-but-2-en-2-yl-4-methylbenzene
CID 12583115
ethane;4-methylbenzoyl iodide
CID 142151570
1-(2,2-difluoro-1-phenylethenyl)-4-methylbenzene
CID 101461718
2-(4-methylphenyl)prop-2-enoyl fluoride
CID 175147814
(E)-3-fluoro-2-(4-methylphenyl)prop-2-en-1-ol
CID 70428635
1-[2-[2,2-bis(4-methylphenyl)ethenylsulfanyl]-1-(4-methylphenyl)ethenyl]-4-methylbenzene
CID 175983739
1-methyl-4-[(2Z,6Z)-6-(4-methylphenyl)octa-2,6-dien-3-yl]benzene
CID 10589610
1-(2,2-difluoroethenyl)-4-methylbenzene
CID 6424286

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-bromo-1-fluoroethenyl]-4-methylbenzene?
The IUPAC name of 1-[(Z)-2-bromo-1-fluoroethenyl]-4-methylbenzene (CID 125477335) is 1-[(Z)-2-bromo-1-fluoroethenyl]-4-methylbenzene.
What is the SMILES notation for 1-[(Z)-2-bromo-1-fluoroethenyl]-4-methylbenzene?
The canonical SMILES for 1-[(Z)-2-bromo-1-fluoroethenyl]-4-methylbenzene is Cc1ccc(/C(F)=C/Br)cc1.
What is the InChIKey of 1-[(Z)-2-bromo-1-fluoroethenyl]-4-methylbenzene?
The InChIKey is LKDLHWARABXEPQ-TWGQIWQCSA-N. The full InChI is InChI=1S/C9H8BrF/c1-7-2-4-8(5-3-7)9(11)6-10/h2-6H,1H3/b9-6-.
What are the key properties of 1-[(Z)-2-bromo-1-fluoroethenyl]-4-methylbenzene?
1-[(Z)-2-bromo-1-fluoroethenyl]-4-methylbenzene has a molecular weight of 215.07 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-bromo-1-fluoroethenyl]-4-methylbenzene is sourced from PubChem (CID 125477335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).