2-bromo-4-(dichloromethyl)-1-fluorobenzene

C7H4BrCl2F — CID 70539346

IUPAC2-bromo-4-(dichloromethyl)-1-fluorobenzene
SMILESFc1ccc(C(Cl)Cl)cc1Br
InChIInChI=1S/C7H4BrCl2F/c8-5-3-4(7(9)10)1-2-6(5)11/h1-3,7H
InChIKeyYEVKVTGMGJQYRQ-UHFFFAOYSA-N
MW257.92 g/mol
LogP4.06
Rot. Bonds1

About 2-bromo-4-(dichloromethyl)-1-fluorobenzene

2-bromo-4-(dichloromethyl)-1-fluorobenzene (PubChem CID 70539346) has the molecular formula C7H4BrCl2F and a molecular weight of 257.92 g/mol. Its IUPAC name is 2-bromo-4-(dichloromethyl)-1-fluorobenzene.

Molecular Properties

Compound Name2-bromo-4-(dichloromethyl)-1-fluorobenzene
PubChem CID70539346
Molecular FormulaC7H4BrCl2F
Molecular Weight257.92 g/mol
Exact Mass255.89
IUPAC Name2-bromo-4-(dichloromethyl)-1-fluorobenzene
SMILESFc1ccc(C(Cl)Cl)cc1Br
InChIInChI=1S/C7H4BrCl2F/c8-5-3-4(7(9)10)1-2-6(5)11/h1-3,7H
InChIKeyYEVKVTGMGJQYRQ-UHFFFAOYSA-N
XLogP4.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.92
LogP ≤ 54.06
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

2-bromo-4-[chloro-(3,4-difluorophenyl)methyl]-1-fluorobenzene
CID 79747375
2-bromo-4-(3-chlorobutan-2-yl)-1-fluorobenzene
CID 66471050
2-bromo-4-[chloro-(3,4-dichlorophenyl)methyl]-1-fluorobenzene
CID 79742771
2-bromo-1-fluoro-4-(1-fluoroethyl)benzene
CID 84686324
2-bromo-4-[(3-bromophenyl)-chloromethyl]-1-fluorobenzene
CID 79747210
2-bromo-4-[(3-bromo-4-fluorophenyl)-chloromethyl]thiophene
CID 107964882
2-bromo-4-[chloro-(2-chloro-6-fluorophenyl)methyl]-1-fluorobenzene
CID 79743561
3-bromo-2-[(3-bromo-4-fluorophenyl)-chloromethyl]thiophene
CID 79747373
(3-bromo-4-fluorophenyl)-(3,5-dichlorophenyl)methanol
CID 79747618
(3-bromo-4-fluorophenyl)-(3,5-dichlorophenyl)methanamine
CID 79747674
(3-bromo-4-fluorophenyl)-(3-chloro-4-fluorophenyl)methanol
CID 82879548
(3-bromo-4-fluorophenyl)-(4-bromophenyl)methanol
CID 79746542

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(dichloromethyl)-1-fluorobenzene?
The IUPAC name of 2-bromo-4-(dichloromethyl)-1-fluorobenzene (CID 70539346) is 2-bromo-4-(dichloromethyl)-1-fluorobenzene.
What is the SMILES notation for 2-bromo-4-(dichloromethyl)-1-fluorobenzene?
The canonical SMILES for 2-bromo-4-(dichloromethyl)-1-fluorobenzene is Fc1ccc(C(Cl)Cl)cc1Br.
What is the InChIKey of 2-bromo-4-(dichloromethyl)-1-fluorobenzene?
The InChIKey is YEVKVTGMGJQYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrCl2F/c8-5-3-4(7(9)10)1-2-6(5)11/h1-3,7H.
What are the key properties of 2-bromo-4-(dichloromethyl)-1-fluorobenzene?
2-bromo-4-(dichloromethyl)-1-fluorobenzene has a molecular weight of 257.92 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(dichloromethyl)-1-fluorobenzene is sourced from PubChem (CID 70539346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).