1-bromo-3-[chloro(difluoro)methyl]benzene

C7H4BrClF2 — CID 14935728

IUPAC1-bromo-3-[chloro(difluoro)methyl]benzene
SMILESFC(F)(Cl)c1cccc(Br)c1
InChIInChI=1S/C7H4BrClF2/c8-6-3-1-2-5(4-6)7(9,10)11/h1-4H
InChIKeyRQRRWEDEGRHMIH-UHFFFAOYSA-N
MW241.46 g/mol
LogP3.74
Rot. Bonds1

About 1-bromo-3-[chloro(difluoro)methyl]benzene

1-bromo-3-[chloro(difluoro)methyl]benzene (PubChem CID 14935728) has the molecular formula C7H4BrClF2 and a molecular weight of 241.46 g/mol. Its IUPAC name is 1-bromo-3-[chloro(difluoro)methyl]benzene.

Molecular Properties

Compound Name1-bromo-3-[chloro(difluoro)methyl]benzene
PubChem CID14935728
Molecular FormulaC7H4BrClF2
Molecular Weight241.46 g/mol
Exact Mass239.92
IUPAC Name1-bromo-3-[chloro(difluoro)methyl]benzene
SMILESFC(F)(Cl)c1cccc(Br)c1
InChIInChI=1S/C7H4BrClF2/c8-6-3-1-2-5(4-6)7(9,10)11/h1-4H
InChIKeyRQRRWEDEGRHMIH-UHFFFAOYSA-N
XLogP3.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.46
LogP ≤ 53.74
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-3-[chloro(difluoro)methyl]benzene?
The IUPAC name of 1-bromo-3-[chloro(difluoro)methyl]benzene (CID 14935728) is 1-bromo-3-[chloro(difluoro)methyl]benzene.
What is the SMILES notation for 1-bromo-3-[chloro(difluoro)methyl]benzene?
The canonical SMILES for 1-bromo-3-[chloro(difluoro)methyl]benzene is FC(F)(Cl)c1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-[chloro(difluoro)methyl]benzene?
The InChIKey is RQRRWEDEGRHMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClF2/c8-6-3-1-2-5(4-6)7(9,10)11/h1-4H.
What are the key properties of 1-bromo-3-[chloro(difluoro)methyl]benzene?
1-bromo-3-[chloro(difluoro)methyl]benzene has a molecular weight of 241.46 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[chloro(difluoro)methyl]benzene is sourced from PubChem (CID 14935728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).