2,3-dibromo-1-(chloromethyl)-4,5-difluorobenzene

C7H3Br2ClF2 — CID 130766572

IUPAC2,3-dibromo-1-(chloromethyl)-4,5-difluorobenzene
SMILESFc1cc(CCl)c(Br)c(Br)c1F
InChIInChI=1S/C7H3Br2ClF2/c8-5-3(2-10)1-4(11)7(12)6(5)9/h1H,2H2
InChIKeyXYDSOHBREDQBLR-UHFFFAOYSA-N
MW320.36 g/mol
LogP4.23
Rot. Bonds1

About 2,3-dibromo-1-(chloromethyl)-4,5-difluorobenzene

2,3-dibromo-1-(chloromethyl)-4,5-difluorobenzene (PubChem CID 130766572) has the molecular formula C7H3Br2ClF2 and a molecular weight of 320.36 g/mol. Its IUPAC name is 2,3-dibromo-1-(chloromethyl)-4,5-difluorobenzene.

Molecular Properties

Compound Name2,3-dibromo-1-(chloromethyl)-4,5-difluorobenzene
PubChem CID130766572
Molecular FormulaC7H3Br2ClF2
Molecular Weight320.36 g/mol
Exact Mass317.83
IUPAC Name2,3-dibromo-1-(chloromethyl)-4,5-difluorobenzene
SMILESFc1cc(CCl)c(Br)c(Br)c1F
InChIInChI=1S/C7H3Br2ClF2/c8-5-3(2-10)1-4(11)7(12)6(5)9/h1H,2H2
InChIKeyXYDSOHBREDQBLR-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-1-(chloromethyl)-4,5-difluorobenzene?
The IUPAC name of 2,3-dibromo-1-(chloromethyl)-4,5-difluorobenzene (CID 130766572) is 2,3-dibromo-1-(chloromethyl)-4,5-difluorobenzene.
What is the SMILES notation for 2,3-dibromo-1-(chloromethyl)-4,5-difluorobenzene?
The canonical SMILES for 2,3-dibromo-1-(chloromethyl)-4,5-difluorobenzene is Fc1cc(CCl)c(Br)c(Br)c1F.
What is the InChIKey of 2,3-dibromo-1-(chloromethyl)-4,5-difluorobenzene?
The InChIKey is XYDSOHBREDQBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Br2ClF2/c8-5-3(2-10)1-4(11)7(12)6(5)9/h1H,2H2.
What are the key properties of 2,3-dibromo-1-(chloromethyl)-4,5-difluorobenzene?
2,3-dibromo-1-(chloromethyl)-4,5-difluorobenzene has a molecular weight of 320.36 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-1-(chloromethyl)-4,5-difluorobenzene is sourced from PubChem (CID 130766572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).