1-bromo-2-(1-bromoethyl)-3,5-difluorobenzene

C8H6Br2F2 — CID 156856263

IUPAC1-bromo-2-(1-bromoethyl)-3,5-difluorobenzene
SMILESCC(Br)c1c(F)cc(F)cc1Br
InChIInChI=1S/C8H6Br2F2/c1-4(9)8-6(10)2-5(11)3-7(8)12/h2-4H,1H3
InChIKeyUOVZJGUYXSXTIA-UHFFFAOYSA-N
MW299.94 g/mol
LogP4.18
Rot. Bonds1

About 1-bromo-2-(1-bromoethyl)-3,5-difluorobenzene

1-bromo-2-(1-bromoethyl)-3,5-difluorobenzene (PubChem CID 156856263) has the molecular formula C8H6Br2F2 and a molecular weight of 299.94 g/mol. Its IUPAC name is 1-bromo-2-(1-bromoethyl)-3,5-difluorobenzene.

Molecular Properties

Compound Name1-bromo-2-(1-bromoethyl)-3,5-difluorobenzene
PubChem CID156856263
Molecular FormulaC8H6Br2F2
Molecular Weight299.94 g/mol
Exact Mass297.88
IUPAC Name1-bromo-2-(1-bromoethyl)-3,5-difluorobenzene
SMILESCC(Br)c1c(F)cc(F)cc1Br
InChIInChI=1S/C8H6Br2F2/c1-4(9)8-6(10)2-5(11)3-7(8)12/h2-4H,1H3
InChIKeyUOVZJGUYXSXTIA-UHFFFAOYSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.94
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(1-bromoethyl)-3,5-difluorobenzene?
The IUPAC name of 1-bromo-2-(1-bromoethyl)-3,5-difluorobenzene (CID 156856263) is 1-bromo-2-(1-bromoethyl)-3,5-difluorobenzene.
What is the SMILES notation for 1-bromo-2-(1-bromoethyl)-3,5-difluorobenzene?
The canonical SMILES for 1-bromo-2-(1-bromoethyl)-3,5-difluorobenzene is CC(Br)c1c(F)cc(F)cc1Br.
What is the InChIKey of 1-bromo-2-(1-bromoethyl)-3,5-difluorobenzene?
The InChIKey is UOVZJGUYXSXTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2F2/c1-4(9)8-6(10)2-5(11)3-7(8)12/h2-4H,1H3.
What are the key properties of 1-bromo-2-(1-bromoethyl)-3,5-difluorobenzene?
1-bromo-2-(1-bromoethyl)-3,5-difluorobenzene has a molecular weight of 299.94 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(1-bromoethyl)-3,5-difluorobenzene is sourced from PubChem (CID 156856263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).