2-(2,2-dibromoethenyl)-4-fluoro-1-methylbenzene

C9H7Br2F — CID 130531997

IUPAC2-(2,2-dibromoethenyl)-4-fluoro-1-methylbenzene
SMILESCc1ccc(F)cc1C=C(Br)Br
InChIInChI=1S/C9H7Br2F/c1-6-2-3-8(12)4-7(6)5-9(10)11/h2-5H,1H3
InChIKeyXAOYLISEPIWJHR-UHFFFAOYSA-N
MW293.96 g/mol
LogP4.22
Rot. Bonds1

About 2-(2,2-dibromoethenyl)-4-fluoro-1-methylbenzene

2-(2,2-dibromoethenyl)-4-fluoro-1-methylbenzene (PubChem CID 130531997) has the molecular formula C9H7Br2F and a molecular weight of 293.96 g/mol. Its IUPAC name is 2-(2,2-dibromoethenyl)-4-fluoro-1-methylbenzene.

Molecular Properties

Compound Name2-(2,2-dibromoethenyl)-4-fluoro-1-methylbenzene
PubChem CID130531997
Molecular FormulaC9H7Br2F
Molecular Weight293.96 g/mol
Exact Mass291.89
IUPAC Name2-(2,2-dibromoethenyl)-4-fluoro-1-methylbenzene
SMILESCc1ccc(F)cc1C=C(Br)Br
InChIInChI=1S/C9H7Br2F/c1-6-2-3-8(12)4-7(6)5-9(10)11/h2-5H,1H3
InChIKeyXAOYLISEPIWJHR-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.96
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2,2-dibromoethenyl)-2,4-difluorobenzene
CID 82363001
(NE)-N-[(5-fluoro-2-methylphenyl)methylidene]hydroxylamine
CID 56776472
N-[(5-fluoro-2-methylphenyl)methylidene]hydroxylamine
CID 73014313
ethyl (E)-3-[2-(2,2-dibromoethenyl)-5-fluorophenyl]prop-2-enoate
CID 102045662
N-[2-(2,2-dibromoethenyl)-5-fluorophenyl]methanesulfonamide
CID 135186418
1-(2,2-dibromoethenyl)-4-fluoro-2-(methoxymethyl)benzene
CID 11347888
(2E)-2-[(5-fluoro-2-methylphenyl)methylidene]-3-methyl-N-propylbutan-1-amine
CID 114075399
ethyl (2E)-2-[(5-fluoro-2-methylphenyl)methylidene]-3-methylpentanoate
CID 134310508
4-(5-fluoro-2-methylphenyl)but-3-enamide
CID 170797411
5-fluoro-2-methylphenol
CID 2774616
[(E)-(5-fluoro-2-methylphenyl)methylideneamino]urea
CID 103942661
4-[(5-fluoro-2-methylphenyl)methylidene]piperidine
CID 105376226

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dibromoethenyl)-4-fluoro-1-methylbenzene?
The IUPAC name of 2-(2,2-dibromoethenyl)-4-fluoro-1-methylbenzene (CID 130531997) is 2-(2,2-dibromoethenyl)-4-fluoro-1-methylbenzene.
What is the SMILES notation for 2-(2,2-dibromoethenyl)-4-fluoro-1-methylbenzene?
The canonical SMILES for 2-(2,2-dibromoethenyl)-4-fluoro-1-methylbenzene is Cc1ccc(F)cc1C=C(Br)Br.
What is the InChIKey of 2-(2,2-dibromoethenyl)-4-fluoro-1-methylbenzene?
The InChIKey is XAOYLISEPIWJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Br2F/c1-6-2-3-8(12)4-7(6)5-9(10)11/h2-5H,1H3.
What are the key properties of 2-(2,2-dibromoethenyl)-4-fluoro-1-methylbenzene?
2-(2,2-dibromoethenyl)-4-fluoro-1-methylbenzene has a molecular weight of 293.96 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dibromoethenyl)-4-fluoro-1-methylbenzene is sourced from PubChem (CID 130531997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).