1-[2,2-dibromo-1-(4-fluorophenyl)ethenyl]-2-methylbenzene

C15H11Br2F — CID 59664125

IUPAC1-[2,2-dibromo-1-(4-fluorophenyl)ethenyl]-2-methylbenzene
SMILESCc1ccccc1C(=C(Br)Br)c1ccc(F)cc1
InChIInChI=1S/C15H11Br2F/c1-10-4-2-3-5-13(10)14(15(16)17)11-6-8-12(18)9-7-11/h2-9H,1H3
InChIKeyMKPLGAVOQQQEMV-UHFFFAOYSA-N
MW370.06 g/mol
LogP5.64
Rot. Bonds2

About 1-[2,2-dibromo-1-(4-fluorophenyl)ethenyl]-2-methylbenzene

1-[2,2-dibromo-1-(4-fluorophenyl)ethenyl]-2-methylbenzene (PubChem CID 59664125) has the molecular formula C15H11Br2F and a molecular weight of 370.06 g/mol. Its IUPAC name is 1-[2,2-dibromo-1-(4-fluorophenyl)ethenyl]-2-methylbenzene.

Molecular Properties

Compound Name1-[2,2-dibromo-1-(4-fluorophenyl)ethenyl]-2-methylbenzene
PubChem CID59664125
Molecular FormulaC15H11Br2F
Molecular Weight370.06 g/mol
Exact Mass367.92
IUPAC Name1-[2,2-dibromo-1-(4-fluorophenyl)ethenyl]-2-methylbenzene
SMILESCc1ccccc1C(=C(Br)Br)c1ccc(F)cc1
InChIInChI=1S/C15H11Br2F/c1-10-4-2-3-5-13(10)14(15(16)17)11-6-8-12(18)9-7-11/h2-9H,1H3
InChIKeyMKPLGAVOQQQEMV-UHFFFAOYSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.06
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-fluoro-4-[2-(4-fluorophenyl)-1,2-diphenylethenyl]benzene
CID 71376552
[5-fluoro-2-[(Z)-2-(4-fluorophenyl)-1-(2-methylphenyl)-2-trimethylsilylethenyl]phenyl]-trimethylsilane
CID 175172059
N-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylbenzamide
CID 94280945
(2,3-dimethylphenyl)-(4-fluorophenyl)methanone
CID 43159951
2-(4-fluorophenyl)sulfinyl-1-(2-methylphenyl)ethanone
CID 64636301
1-[(E)-1,2-bis(2-methoxyphenyl)-2-(2-methylphenyl)ethenyl]-2-methylbenzene
CID 102177255
1-[1,2-dibromo-2-(4-fluorophenyl)ethenyl]-4-fluorobenzene
CID 139674428
4-[(Z)-2-bromo-2-(4-fluorophenyl)-1-phenylethenyl]-N,N-dimethylaniline
CID 101070753
N,N'-bis(2,6-dimethylphenyl)-1,2-bis(4-fluorophenyl)ethane-1,2-diimine
CID 140654196
4-[(E)-1-(2-methylphenyl)-1-(4-methylphenyl)but-1-en-2-yl]phenol
CID 167478355
[(Z)-1-(3-fluorophenyl)-3-hydroxy-1-(2-methylphenyl)prop-1-en-2-yl] formate
CID 139471653
1-[3-cyclopropyl-1-(4-fluorophenyl)-2-(3-methoxybut-1-enyl)hepta-1,3-dienyl]-2-methylbenzene
CID 123583214

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-dibromo-1-(4-fluorophenyl)ethenyl]-2-methylbenzene?
The IUPAC name of 1-[2,2-dibromo-1-(4-fluorophenyl)ethenyl]-2-methylbenzene (CID 59664125) is 1-[2,2-dibromo-1-(4-fluorophenyl)ethenyl]-2-methylbenzene.
What is the SMILES notation for 1-[2,2-dibromo-1-(4-fluorophenyl)ethenyl]-2-methylbenzene?
The canonical SMILES for 1-[2,2-dibromo-1-(4-fluorophenyl)ethenyl]-2-methylbenzene is Cc1ccccc1C(=C(Br)Br)c1ccc(F)cc1.
What is the InChIKey of 1-[2,2-dibromo-1-(4-fluorophenyl)ethenyl]-2-methylbenzene?
The InChIKey is MKPLGAVOQQQEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2F/c1-10-4-2-3-5-13(10)14(15(16)17)11-6-8-12(18)9-7-11/h2-9H,1H3.
What are the key properties of 1-[2,2-dibromo-1-(4-fluorophenyl)ethenyl]-2-methylbenzene?
1-[2,2-dibromo-1-(4-fluorophenyl)ethenyl]-2-methylbenzene has a molecular weight of 370.06 g/mol, XLogP of 5.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-dibromo-1-(4-fluorophenyl)ethenyl]-2-methylbenzene is sourced from PubChem (CID 59664125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).