1-[bromo(difluoro)methyl]-2-chlorobenzene

C7H4BrClF2 — CID 58133508

IUPAC1-[bromo(difluoro)methyl]-2-chlorobenzene
SMILESFC(F)(Br)c1ccccc1Cl
InChIInChI=1S/C7H4BrClF2/c8-7(10,11)5-3-1-2-4-6(5)9/h1-4H
InChIKeyUFIDYNCWIQPBCN-UHFFFAOYSA-N
MW241.46 g/mol
LogP3.78
Rot. Bonds1

About 1-[bromo(difluoro)methyl]-2-chlorobenzene

1-[bromo(difluoro)methyl]-2-chlorobenzene (PubChem CID 58133508) has the molecular formula C7H4BrClF2 and a molecular weight of 241.46 g/mol. Its IUPAC name is 1-[bromo(difluoro)methyl]-2-chlorobenzene.

Molecular Properties

Compound Name1-[bromo(difluoro)methyl]-2-chlorobenzene
PubChem CID58133508
Molecular FormulaC7H4BrClF2
Molecular Weight241.46 g/mol
Exact Mass239.92
IUPAC Name1-[bromo(difluoro)methyl]-2-chlorobenzene
SMILESFC(F)(Br)c1ccccc1Cl
InChIInChI=1S/C7H4BrClF2/c8-7(10,11)5-3-1-2-4-6(5)9/h1-4H
InChIKeyUFIDYNCWIQPBCN-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
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-chloro-2-(trifluoromethyl)benzene
CID 161495124
1-chloro-2-[(2-chlorophenyl)-difluoromethyl]benzene
CID 22023801
1-chloro-2-(trifluoromethyl)benzene
CID 6921
1-[bromo(difluoro)methyl]-3-chloro-2-fluorobenzene
CID 175127177
sodium;1-chloro-2-(trifluoromethyl)benzene;hydride
CID 175454034
1-chloro-2-(trichloromethyl)benzene
CID 16494
1-(1-bromo-2-fluoropropan-2-yl)-2-chlorobenzene
CID 53402375
1-chloro-2-[1-(2-chlorophenyl)-1,2,2,3,3,3-hexafluoropropyl]benzene
CID 22336549
1-chloro-2-(trichloromethyl)benzene;hydrofluoride
CID 21414937
[(2-chlorophenyl)-difluoromethyl]phosphonic acid
CID 91535582
1-chloro-2-(trifluoromethyl)benzene thiocyanate
CID 86593094
2-(2-chlorophenyl)-2,2-difluoroacetyl fluoride
CID 118255532

Frequently Asked Questions

What is the IUPAC name of 1-[bromo(difluoro)methyl]-2-chlorobenzene?
The IUPAC name of 1-[bromo(difluoro)methyl]-2-chlorobenzene (CID 58133508) is 1-[bromo(difluoro)methyl]-2-chlorobenzene.
What is the SMILES notation for 1-[bromo(difluoro)methyl]-2-chlorobenzene?
The canonical SMILES for 1-[bromo(difluoro)methyl]-2-chlorobenzene is FC(F)(Br)c1ccccc1Cl.
What is the InChIKey of 1-[bromo(difluoro)methyl]-2-chlorobenzene?
The InChIKey is UFIDYNCWIQPBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClF2/c8-7(10,11)5-3-1-2-4-6(5)9/h1-4H.
What are the key properties of 1-[bromo(difluoro)methyl]-2-chlorobenzene?
1-[bromo(difluoro)methyl]-2-chlorobenzene has a molecular weight of 241.46 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo(difluoro)methyl]-2-chlorobenzene is sourced from PubChem (CID 58133508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).