1,3-bis[(E)-2-bromo-2-fluoroethenyl]benzene

C10H6Br2F2 — CID 125476830

IUPAC1,3-bis[(E)-2-bromo-2-fluoroethenyl]benzene
SMILESF/C(Br)=C\c1cccc(/C=C(\F)Br)c1
InChIInChI=1S/C10H6Br2F2/c11-9(13)5-7-2-1-3-8(4-7)6-10(12)14/h1-6H/b9-5-,10-6-
InChIKeyJVOVAYWLIFOJNQ-OZDSWYPASA-N
MW323.96 g/mol
LogP5.01
Rot. Bonds2

About 1,3-bis[(E)-2-bromo-2-fluoroethenyl]benzene

1,3-bis[(E)-2-bromo-2-fluoroethenyl]benzene (PubChem CID 125476830) has the molecular formula C10H6Br2F2 and a molecular weight of 323.96 g/mol. Its IUPAC name is 1,3-bis[(E)-2-bromo-2-fluoroethenyl]benzene.

Molecular Properties

Compound Name1,3-bis[(E)-2-bromo-2-fluoroethenyl]benzene
PubChem CID125476830
Molecular FormulaC10H6Br2F2
Molecular Weight323.96 g/mol
Exact Mass321.88
IUPAC Name1,3-bis[(E)-2-bromo-2-fluoroethenyl]benzene
SMILESF/C(Br)=C\c1cccc(/C=C(\F)Br)c1
InChIInChI=1S/C10H6Br2F2/c11-9(13)5-7-2-1-3-8(4-7)6-10(12)14/h1-6H/b9-5-,10-6-
InChIKeyJVOVAYWLIFOJNQ-OZDSWYPASA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.96
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(Z)-2-bromo-2-fluoroethenyl]-3-(trifluoromethyl)benzene
CID 177498684
2-(2-bromo-2-fluoroethenyl)naphthalene
CID 71421108
1-bromo-3-(2,2-difluoroethenyl)benzene
CID 11356427
1-fluoro-3-[(E)-2,3,3,3-tetrafluoroprop-1-enyl]benzene
CID 165485333
4-[(E)-2-bromo-2-fluoroethenyl]benzonitrile
CID 11790880
[(1E)-4-bromo-4-fluorobuta-1,3-dienyl]benzene
CID 134853789
1-[(Z)-2,3-dibromoprop-1-enyl]-3-methylbenzene
CID 166642881
2,2-dibromo(113C)ethenylbenzene
CID 131856077
(Z)-3-(3-chlorophenyl)-2-fluoroprop-2-enoic acid
CID 122235656
(Z)-3-(3-fluorophenyl)-2-methylprop-2-enoic acid
CID 131513172
2-[2-(3-bromophenyl)-1-fluoroethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171111268
2-hydroxy-6-(2-methylprop-1-enyl)cyclohepta-2,4,6-trien-1-one
CID 158650341

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(E)-2-bromo-2-fluoroethenyl]benzene?
The IUPAC name of 1,3-bis[(E)-2-bromo-2-fluoroethenyl]benzene (CID 125476830) is 1,3-bis[(E)-2-bromo-2-fluoroethenyl]benzene.
What is the SMILES notation for 1,3-bis[(E)-2-bromo-2-fluoroethenyl]benzene?
The canonical SMILES for 1,3-bis[(E)-2-bromo-2-fluoroethenyl]benzene is F/C(Br)=C\c1cccc(/C=C(\F)Br)c1.
What is the InChIKey of 1,3-bis[(E)-2-bromo-2-fluoroethenyl]benzene?
The InChIKey is JVOVAYWLIFOJNQ-OZDSWYPASA-N. The full InChI is InChI=1S/C10H6Br2F2/c11-9(13)5-7-2-1-3-8(4-7)6-10(12)14/h1-6H/b9-5-,10-6-.
What are the key properties of 1,3-bis[(E)-2-bromo-2-fluoroethenyl]benzene?
1,3-bis[(E)-2-bromo-2-fluoroethenyl]benzene has a molecular weight of 323.96 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(E)-2-bromo-2-fluoroethenyl]benzene is sourced from PubChem (CID 125476830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).