1-bromo-4-[(E)-3-bromoprop-1-enyl]-2-fluorobenzene

C9H7Br2F — CID 81440266

IUPAC1-bromo-4-[(E)-3-bromoprop-1-enyl]-2-fluorobenzene
SMILESFc1cc(/C=C/CBr)ccc1Br
InChIInChI=1S/C9H7Br2F/c10-5-1-2-7-3-4-8(11)9(12)6-7/h1-4,6H,5H2/b2-1+
InChIKeyYDRWFVHYFHPHAB-OWOJBTEDSA-N
MW293.96 g/mol
LogP4.00
Rot. Bonds2

About 1-bromo-4-[(E)-3-bromoprop-1-enyl]-2-fluorobenzene

1-bromo-4-[(E)-3-bromoprop-1-enyl]-2-fluorobenzene (PubChem CID 81440266) has the molecular formula C9H7Br2F and a molecular weight of 293.96 g/mol. Its IUPAC name is 1-bromo-4-[(E)-3-bromoprop-1-enyl]-2-fluorobenzene.

Molecular Properties

Compound Name1-bromo-4-[(E)-3-bromoprop-1-enyl]-2-fluorobenzene
PubChem CID81440266
Molecular FormulaC9H7Br2F
Molecular Weight293.96 g/mol
Exact Mass291.89
IUPAC Name1-bromo-4-[(E)-3-bromoprop-1-enyl]-2-fluorobenzene
SMILESFc1cc(/C=C/CBr)ccc1Br
InChIInChI=1S/C9H7Br2F/c10-5-1-2-7-3-4-8(11)9(12)6-7/h1-4,6H,5H2/b2-1+
InChIKeyYDRWFVHYFHPHAB-OWOJBTEDSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.96
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(3-bromoprop-1-enyl)-1,2-difluorobenzene
CID 4997890
4-(4-bromo-3-fluorophenyl)but-3-en-1-amine
CID 170487945
1-bromo-2-fluoro-4-[(E)-pent-1-enyl]benzene
CID 151979932
1-bromo-4-(3-bromoprop-1-enyl)-2-(trifluoromethyl)benzene
CID 169476528
3-(4-bromo-3-fluorophenyl)prop-2-enamide
CID 169482722
3-(3-bromoprop-1-enyl)phenanthrene-9,10-dione
CID 169476439
(E)-3-(3-bromo-4-fluorophenyl)prop-2-en-1-amine
CID 63969673
5-(3-bromoprop-1-enyl)-2,3-difluorophenol
CID 169475415
1-(3-bromoprop-1-enyl)-3-methylsulfanylbenzene
CID 169475048
(E)-4-(4-bromo-3-fluorophenyl)-3-methylbut-3-en-2-one
CID 103090855
1-[(E)-3-bromoprop-1-enyl]-3-methylbenzene
CID 15662681
5-(3-bromoprop-1-enyl)-2-fluoropyridine
CID 169474982

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(E)-3-bromoprop-1-enyl]-2-fluorobenzene?
The IUPAC name of 1-bromo-4-[(E)-3-bromoprop-1-enyl]-2-fluorobenzene (CID 81440266) is 1-bromo-4-[(E)-3-bromoprop-1-enyl]-2-fluorobenzene.
What is the SMILES notation for 1-bromo-4-[(E)-3-bromoprop-1-enyl]-2-fluorobenzene?
The canonical SMILES for 1-bromo-4-[(E)-3-bromoprop-1-enyl]-2-fluorobenzene is Fc1cc(/C=C/CBr)ccc1Br.
What is the InChIKey of 1-bromo-4-[(E)-3-bromoprop-1-enyl]-2-fluorobenzene?
The InChIKey is YDRWFVHYFHPHAB-OWOJBTEDSA-N. The full InChI is InChI=1S/C9H7Br2F/c10-5-1-2-7-3-4-8(11)9(12)6-7/h1-4,6H,5H2/b2-1+.
What are the key properties of 1-bromo-4-[(E)-3-bromoprop-1-enyl]-2-fluorobenzene?
1-bromo-4-[(E)-3-bromoprop-1-enyl]-2-fluorobenzene has a molecular weight of 293.96 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(E)-3-bromoprop-1-enyl]-2-fluorobenzene is sourced from PubChem (CID 81440266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).