1-[bromo(difluoro)methyl]-4-chlorobenzene

C7H4BrClF2 — CID 640458

IUPAC1-[bromo(difluoro)methyl]-4-chlorobenzene
SMILESFC(F)(Br)c1ccc(Cl)cc1
InChIInChI=1S/C7H4BrClF2/c8-7(10,11)5-1-3-6(9)4-2-5/h1-4H
InChIKeyUUAHGNFKMHMRDY-UHFFFAOYSA-N
MW241.46 g/mol
LogP3.78
Rot. Bonds1

About 1-[bromo(difluoro)methyl]-4-chlorobenzene

1-[bromo(difluoro)methyl]-4-chlorobenzene (PubChem CID 640458) has the molecular formula C7H4BrClF2 and a molecular weight of 241.46 g/mol. Its IUPAC name is 1-[bromo(difluoro)methyl]-4-chlorobenzene.

Molecular Properties

Compound Name1-[bromo(difluoro)methyl]-4-chlorobenzene
PubChem CID640458
Molecular FormulaC7H4BrClF2
Molecular Weight241.46 g/mol
Exact Mass239.92
IUPAC Name1-[bromo(difluoro)methyl]-4-chlorobenzene
SMILESFC(F)(Br)c1ccc(Cl)cc1
InChIInChI=1S/C7H4BrClF2/c8-7(10,11)5-1-3-6(9)4-2-5/h1-4H
InChIKeyUUAHGNFKMHMRDY-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

4-Chlorotoluene
CID 7810
1-Chloro-4-(trifluoromethyl)benzene
CID 7394
4-Chlorostyrene
CID 14085
1-Chloro-2-(trifluoromethyl)benzene
CID 6921
2,4-Dichlorobenzotrifluoride
CID 9443
3-Chlorobenzotrifluoride
CID 7374
alpha-Bromo-o-chlorotoluene
CID 11905
1-(Bromomethyl)-3-chlorobenzene
CID 69838
Benzene, chloro(chlorodifluoromethyl)-
CID 173883
1-Chloro-3-(dibromomethyl)benzene
CID 96715
2-Bromo-1-chloro-4-(trifluoromethyl)benzene
CID 67988
1-(Bromomethyl)-4-chlorobenzene
CID 69329

Frequently Asked Questions

What is the IUPAC name of 1-[bromo(difluoro)methyl]-4-chlorobenzene?
The IUPAC name of 1-[bromo(difluoro)methyl]-4-chlorobenzene (CID 640458) is 1-[bromo(difluoro)methyl]-4-chlorobenzene.
What is the SMILES notation for 1-[bromo(difluoro)methyl]-4-chlorobenzene?
The canonical SMILES for 1-[bromo(difluoro)methyl]-4-chlorobenzene is FC(F)(Br)c1ccc(Cl)cc1.
What is the InChIKey of 1-[bromo(difluoro)methyl]-4-chlorobenzene?
The InChIKey is UUAHGNFKMHMRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClF2/c8-7(10,11)5-1-3-6(9)4-2-5/h1-4H.
What are the key properties of 1-[bromo(difluoro)methyl]-4-chlorobenzene?
1-[bromo(difluoro)methyl]-4-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]-4-chlorobenzene is sourced from PubChem (CID 640458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).