2-[(E)-2-bromoethenyl]-1-fluoro-4-methylbenzene

C9H8BrF — CID 165465250

IUPAC2-[(E)-2-bromoethenyl]-1-fluoro-4-methylbenzene
SMILESCc1ccc(F)c(/C=C/Br)c1
InChIInChI=1S/C9H8BrF/c1-7-2-3-9(11)8(6-7)4-5-10/h2-6H,1H3/b5-4+
InChIKeyYFGLGNUXMFPUJR-SNAWJCMRSA-N
MW215.07 g/mol
LogP3.50
Rot. Bonds1

About 2-[(E)-2-bromoethenyl]-1-fluoro-4-methylbenzene

2-[(E)-2-bromoethenyl]-1-fluoro-4-methylbenzene (PubChem CID 165465250) has the molecular formula C9H8BrF and a molecular weight of 215.07 g/mol. Its IUPAC name is 2-[(E)-2-bromoethenyl]-1-fluoro-4-methylbenzene.

Molecular Properties

Compound Name2-[(E)-2-bromoethenyl]-1-fluoro-4-methylbenzene
PubChem CID165465250
Molecular FormulaC9H8BrF
Molecular Weight215.07 g/mol
Exact Mass213.98
IUPAC Name2-[(E)-2-bromoethenyl]-1-fluoro-4-methylbenzene
SMILESCc1ccc(F)c(/C=C/Br)c1
InChIInChI=1S/C9H8BrF/c1-7-2-3-9(11)8(6-7)4-5-10/h2-6H,1H3/b5-4+
InChIKeyYFGLGNUXMFPUJR-SNAWJCMRSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;2-fluoro-5-methylbenzaldehyde
CID 144639073
1-[(E)-2-bromoethenyl]-2,4-difluorobenzene
CID 165468200
N-[(2-fluoro-5-methylphenyl)methylideneamino]aniline
CID 169381612
ethane;1-fluoro-2,4-dimethylbenzene
CID 123541236
1,2-difluoro-4-methylbenzene;methanamine
CID 142872799
1-fluoro-2-[(E)-2-(4-methylphenyl)ethenyl]benzene
CID 10036098
(E)-3-(5-bromo-2-fluorophenyl)-1-(3-methylphenyl)prop-2-en-1-one
CID 19571082
2-fluoro-1-[(E)-2-methoxyethenyl]-4-methylbenzene
CID 167530935
2-(2-bromophenyl)-1-fluoro-4-methylbenzene
CID 90775083
2-fluoro-N,N,5-trimethylaniline
CID 118521335
2-chloro-1-fluoro-4-methylbenzene;ethane
CID 142940012
4-methyl-1,2-bis(prop-1-enyl)benzene
CID 123860463

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-bromoethenyl]-1-fluoro-4-methylbenzene?
The IUPAC name of 2-[(E)-2-bromoethenyl]-1-fluoro-4-methylbenzene (CID 165465250) is 2-[(E)-2-bromoethenyl]-1-fluoro-4-methylbenzene.
What is the SMILES notation for 2-[(E)-2-bromoethenyl]-1-fluoro-4-methylbenzene?
The canonical SMILES for 2-[(E)-2-bromoethenyl]-1-fluoro-4-methylbenzene is Cc1ccc(F)c(/C=C/Br)c1.
What is the InChIKey of 2-[(E)-2-bromoethenyl]-1-fluoro-4-methylbenzene?
The InChIKey is YFGLGNUXMFPUJR-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H8BrF/c1-7-2-3-9(11)8(6-7)4-5-10/h2-6H,1H3/b5-4+.
What are the key properties of 2-[(E)-2-bromoethenyl]-1-fluoro-4-methylbenzene?
2-[(E)-2-bromoethenyl]-1-fluoro-4-methylbenzene has a molecular weight of 215.07 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-bromoethenyl]-1-fluoro-4-methylbenzene is sourced from PubChem (CID 165465250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).