1-[(E)-2-bromoethenyl]-2,4-difluorobenzene

C8H5BrF2 — CID 165468200

IUPAC1-[(E)-2-bromoethenyl]-2,4-difluorobenzene
SMILESFc1ccc(/C=C/Br)c(F)c1
InChIInChI=1S/C8H5BrF2/c9-4-3-6-1-2-7(10)5-8(6)11/h1-5H/b4-3+
InChIKeyZCRAHMBYGBZAGE-ONEGZZNKSA-N
MW219.03 g/mol
LogP3.33
Rot. Bonds1

About 1-[(E)-2-bromoethenyl]-2,4-difluorobenzene

1-[(E)-2-bromoethenyl]-2,4-difluorobenzene (PubChem CID 165468200) has the molecular formula C8H5BrF2 and a molecular weight of 219.03 g/mol. Its IUPAC name is 1-[(E)-2-bromoethenyl]-2,4-difluorobenzene.

Molecular Properties

Compound Name1-[(E)-2-bromoethenyl]-2,4-difluorobenzene
PubChem CID165468200
Molecular FormulaC8H5BrF2
Molecular Weight219.03 g/mol
Exact Mass217.95
IUPAC Name1-[(E)-2-bromoethenyl]-2,4-difluorobenzene
SMILESFc1ccc(/C=C/Br)c(F)c1
InChIInChI=1S/C8H5BrF2/c9-4-3-6-1-2-7(10)5-8(6)11/h1-5H/b4-3+
InChIKeyZCRAHMBYGBZAGE-ONEGZZNKSA-N
XLogP3.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.03
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(1E)-buta-1,3-dienyl]-2,4-difluorobenzene
CID 178070842
3-(2,4-difluorophenyl)prop-2-enal
CID 2763109
4-[(E)-2-bromoethenyl]-3-fluorobenzonitrile
CID 165471193
1,5-bis(2,4-difluorophenyl)penta-1,4-dien-3-one
CID 68697765
1-(2,2-dibromoethenyl)-2,4-difluorobenzene
CID 82363001
(E)-3-(2,4-difluorophenyl)prop-2-enoic acid
CID 5374945
2,4-difluoro-1-[(E)-2-methylsulfonylethenyl]benzene
CID 87339541
2,4-difluoro-1-(2-methylsulfinylethenyl)benzene
CID 67288123
2-(2,4-difluorophenyl)-N-[2-(2,4-difluorophenyl)ethenylsulfinyl]ethenesulfinamide
CID 66992508
1-[2-[2-(2,4-difluorophenyl)ethenylsulfonylmethylsulfonyl]ethenyl]-2,4-difluorobenzene
CID 73043521
2-[(Z)-2-bromoethenyl]-6-fluoroquinoline
CID 86683113
(E)-4-(2,4-difluorophenyl)-N-methylbut-3-en-2-amine
CID 54775722

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-bromoethenyl]-2,4-difluorobenzene?
The IUPAC name of 1-[(E)-2-bromoethenyl]-2,4-difluorobenzene (CID 165468200) is 1-[(E)-2-bromoethenyl]-2,4-difluorobenzene.
What is the SMILES notation for 1-[(E)-2-bromoethenyl]-2,4-difluorobenzene?
The canonical SMILES for 1-[(E)-2-bromoethenyl]-2,4-difluorobenzene is Fc1ccc(/C=C/Br)c(F)c1.
What is the InChIKey of 1-[(E)-2-bromoethenyl]-2,4-difluorobenzene?
The InChIKey is ZCRAHMBYGBZAGE-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H5BrF2/c9-4-3-6-1-2-7(10)5-8(6)11/h1-5H/b4-3+.
What are the key properties of 1-[(E)-2-bromoethenyl]-2,4-difluorobenzene?
1-[(E)-2-bromoethenyl]-2,4-difluorobenzene has a molecular weight of 219.03 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-bromoethenyl]-2,4-difluorobenzene is sourced from PubChem (CID 165468200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).