4-bromo-1-(3-bromo-2-methylprop-1-enyl)-2-fluorobenzene

C10H9Br2F — CID 79321674

IUPAC4-bromo-1-(3-bromo-2-methylprop-1-enyl)-2-fluorobenzene
SMILESCC(=Cc1ccc(Br)cc1F)CBr
InChIInChI=1S/C10H9Br2F/c1-7(6-11)4-8-2-3-9(12)5-10(8)13/h2-5H,6H2,1H3
InChIKeyPVRQIXJUXSPNRE-UHFFFAOYSA-N
MW307.99 g/mol
LogP4.39
Rot. Bonds2

About 4-bromo-1-(3-bromo-2-methylprop-1-enyl)-2-fluorobenzene

4-bromo-1-(3-bromo-2-methylprop-1-enyl)-2-fluorobenzene (PubChem CID 79321674) has the molecular formula C10H9Br2F and a molecular weight of 307.99 g/mol. Its IUPAC name is 4-bromo-1-(3-bromo-2-methylprop-1-enyl)-2-fluorobenzene.

Molecular Properties

Compound Name4-bromo-1-(3-bromo-2-methylprop-1-enyl)-2-fluorobenzene
PubChem CID79321674
Molecular FormulaC10H9Br2F
Molecular Weight307.99 g/mol
Exact Mass305.91
IUPAC Name4-bromo-1-(3-bromo-2-methylprop-1-enyl)-2-fluorobenzene
SMILESCC(=Cc1ccc(Br)cc1F)CBr
InChIInChI=1S/C10H9Br2F/c1-7(6-11)4-8-2-3-9(12)5-10(8)13/h2-5H,6H2,1H3
InChIKeyPVRQIXJUXSPNRE-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.99
LogP ≤ 54.39
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-[(Z)-3-bromo-2-methylprop-1-enyl]-2,3,4-trifluorobenzene
CID 164649403
4-bromo-2-(3-bromo-2-methylprop-1-enyl)-1-methoxybenzene
CID 79323542
2-[(Z)-3-bromo-2-methylprop-1-enyl]-4-chloro-1-fluorobenzene
CID 114867402
2-[(4-bromo-2-fluorophenyl)methylidene]-3-methylbutan-1-ol
CID 79334653
(E)-4-(4-bromo-2-fluorophenyl)-N-ethyl-3-methylbut-3-en-2-amine
CID 103093212
4-bromo-2-fluoro-1-(2-nitrobut-1-enyl)benzene
CID 76912988
4-bromo-1-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2-fluorobenzene
CID 141487041
4-bromo-1-[(Z)-but-1-enyl]-2-fluorobenzene
CID 58961640
3-(5-bromo-2-fluorophenyl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79341621
methyl (E)-3-(4-bromo-2-fluorophenyl)prop-2-enoate
CID 18989439
(E)-4-(4-bromo-2-fluorophenyl)but-3-en-2-ol
CID 103971130
(E)-4-(4-bromo-2-fluorophenyl)-N-ethylbut-3-en-2-amine
CID 103092280

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(3-bromo-2-methylprop-1-enyl)-2-fluorobenzene?
The IUPAC name of 4-bromo-1-(3-bromo-2-methylprop-1-enyl)-2-fluorobenzene (CID 79321674) is 4-bromo-1-(3-bromo-2-methylprop-1-enyl)-2-fluorobenzene.
What is the SMILES notation for 4-bromo-1-(3-bromo-2-methylprop-1-enyl)-2-fluorobenzene?
The canonical SMILES for 4-bromo-1-(3-bromo-2-methylprop-1-enyl)-2-fluorobenzene is CC(=Cc1ccc(Br)cc1F)CBr.
What is the InChIKey of 4-bromo-1-(3-bromo-2-methylprop-1-enyl)-2-fluorobenzene?
The InChIKey is PVRQIXJUXSPNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2F/c1-7(6-11)4-8-2-3-9(12)5-10(8)13/h2-5H,6H2,1H3.
What are the key properties of 4-bromo-1-(3-bromo-2-methylprop-1-enyl)-2-fluorobenzene?
4-bromo-1-(3-bromo-2-methylprop-1-enyl)-2-fluorobenzene has a molecular weight of 307.99 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(3-bromo-2-methylprop-1-enyl)-2-fluorobenzene is sourced from PubChem (CID 79321674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).