2-bromo-1-(3-bromoprop-1-enyl)-3-fluorobenzene

C9H7Br2F — CID 169476658

IUPAC2-bromo-1-(3-bromoprop-1-enyl)-3-fluorobenzene
SMILESFc1cccc(C=CCBr)c1Br
InChIInChI=1S/C9H7Br2F/c10-6-2-4-7-3-1-5-8(12)9(7)11/h1-5H,6H2
InChIKeyOUUZINDKRTYSDC-UHFFFAOYSA-N
MW293.96 g/mol
LogP4.00
Rot. Bonds2

About 2-bromo-1-(3-bromoprop-1-enyl)-3-fluorobenzene

2-bromo-1-(3-bromoprop-1-enyl)-3-fluorobenzene (PubChem CID 169476658) has the molecular formula C9H7Br2F and a molecular weight of 293.96 g/mol. Its IUPAC name is 2-bromo-1-(3-bromoprop-1-enyl)-3-fluorobenzene.

Molecular Properties

Compound Name2-bromo-1-(3-bromoprop-1-enyl)-3-fluorobenzene
PubChem CID169476658
Molecular FormulaC9H7Br2F
Molecular Weight293.96 g/mol
Exact Mass291.89
IUPAC Name2-bromo-1-(3-bromoprop-1-enyl)-3-fluorobenzene
SMILESFc1cccc(C=CCBr)c1Br
InChIInChI=1S/C9H7Br2F/c10-6-2-4-7-3-1-5-8(12)9(7)11/h1-5H,6H2
InChIKeyOUUZINDKRTYSDC-UHFFFAOYSA-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

1-(3-bromoprop-1-enyl)-3-fluoro-2-methoxybenzene
CID 169475359
3-[(2-bromo-3-fluorophenyl)methylidene]cyclobutan-1-amine
CID 103393968
2-amino-6-(3-bromoprop-1-enyl)phenol
CID 169475273
2-(3-bromoprop-1-enyl)-4,5-difluorophenol
CID 169475416
4-(3-bromoprop-1-enyl)-2,5-difluorobenzaldehyde
CID 169475773
2-bromo-4-(3-bromoprop-1-enyl)-5-fluoropyridine
CID 169476766
2-fluoro-6-[3-(methylamino)prop-1-enyl]aniline
CID 169473296
(E)-3-(3-bromo-2,4-difluorophenyl)prop-2-en-1-amine
CID 117372632
1-[(E)-3-chloroprop-1-enyl]-2,3-difluorobenzene
CID 131874054
1-bromo-4-[(E)-3-bromoprop-1-enyl]-2-fluorobenzene
CID 81440266
3-(2-fluorophenyl)prop-2-ene-1-thiol
CID 169454551
2-(3-bromoprop-1-enyl)-1,3,4-trifluorobenzene
CID 169475296

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(3-bromoprop-1-enyl)-3-fluorobenzene?
The IUPAC name of 2-bromo-1-(3-bromoprop-1-enyl)-3-fluorobenzene (CID 169476658) is 2-bromo-1-(3-bromoprop-1-enyl)-3-fluorobenzene.
What is the SMILES notation for 2-bromo-1-(3-bromoprop-1-enyl)-3-fluorobenzene?
The canonical SMILES for 2-bromo-1-(3-bromoprop-1-enyl)-3-fluorobenzene is Fc1cccc(C=CCBr)c1Br.
What is the InChIKey of 2-bromo-1-(3-bromoprop-1-enyl)-3-fluorobenzene?
The InChIKey is OUUZINDKRTYSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Br2F/c10-6-2-4-7-3-1-5-8(12)9(7)11/h1-5H,6H2.
What are the key properties of 2-bromo-1-(3-bromoprop-1-enyl)-3-fluorobenzene?
2-bromo-1-(3-bromoprop-1-enyl)-3-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 2-bromo-1-(3-bromoprop-1-enyl)-3-fluorobenzene is sourced from PubChem (CID 169476658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).