2,3-bis(bromomethyl)-1,4-difluorobenzene

C8H6Br2F2 — CID 59382290

IUPAC2,3-bis(bromomethyl)-1,4-difluorobenzene
SMILESFc1ccc(F)c(CBr)c1CBr
InChIInChI=1S/C8H6Br2F2/c9-3-5-6(4-10)8(12)2-1-7(5)11/h1-2H,3-4H2
InChIKeyLLDRGWSZEFZZEF-UHFFFAOYSA-N
MW299.94 g/mol
LogP3.75
Rot. Bonds2

About 2,3-bis(bromomethyl)-1,4-difluorobenzene

2,3-bis(bromomethyl)-1,4-difluorobenzene (PubChem CID 59382290) has the molecular formula C8H6Br2F2 and a molecular weight of 299.94 g/mol. Its IUPAC name is 2,3-bis(bromomethyl)-1,4-difluorobenzene.

Molecular Properties

Compound Name2,3-bis(bromomethyl)-1,4-difluorobenzene
PubChem CID59382290
Molecular FormulaC8H6Br2F2
Molecular Weight299.94 g/mol
Exact Mass297.88
IUPAC Name2,3-bis(bromomethyl)-1,4-difluorobenzene
SMILESFc1ccc(F)c(CBr)c1CBr
InChIInChI=1S/C8H6Br2F2/c9-3-5-6(4-10)8(12)2-1-7(5)11/h1-2H,3-4H2
InChIKeyLLDRGWSZEFZZEF-UHFFFAOYSA-N
XLogP3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.94
LogP ≤ 53.75
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

Phenethyl bromide
CID 7666
o-Xylyl bromide
CID 6992
(1,2-Dibromoethyl)benzene
CID 7145
1,2-Bis(dibromomethyl)benzene
CID 83234
o-Bis(bromomethyl)benzene
CID 66665
3-Fluorobenzyl bromide
CID 68007
Benzene, dibromoethyl-
CID 161678
2-(Bromomethyl)-1,3-difluorobenzene
CID 581435
2,2'-Bis(bromomethyl)-1,1'-biphenyl
CID 251962
(1-Bromo-2-fluoroethyl)benzene
CID 13442929
4-Fluorobenzyl bromide
CID 68021
(1-Bromo-2,2,2-trifluoroethyl)benzene
CID 14438709

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(bromomethyl)-1,4-difluorobenzene?
The IUPAC name of 2,3-bis(bromomethyl)-1,4-difluorobenzene (CID 59382290) is 2,3-bis(bromomethyl)-1,4-difluorobenzene.
What is the SMILES notation for 2,3-bis(bromomethyl)-1,4-difluorobenzene?
The canonical SMILES for 2,3-bis(bromomethyl)-1,4-difluorobenzene is Fc1ccc(F)c(CBr)c1CBr.
What is the InChIKey of 2,3-bis(bromomethyl)-1,4-difluorobenzene?
The InChIKey is LLDRGWSZEFZZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2F2/c9-3-5-6(4-10)8(12)2-1-7(5)11/h1-2H,3-4H2.
What are the key properties of 2,3-bis(bromomethyl)-1,4-difluorobenzene?
2,3-bis(bromomethyl)-1,4-difluorobenzene has a molecular weight of 299.94 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(bromomethyl)-1,4-difluorobenzene is sourced from PubChem (CID 59382290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).