2-bromo-4-[chloro-(3,4-difluorophenyl)methyl]-1-fluorobenzene

C13H7BrClF3 — CID 79747375

IUPAC2-bromo-4-[chloro-(3,4-difluorophenyl)methyl]-1-fluorobenzene
SMILESFc1ccc(C(Cl)c2ccc(F)c(Br)c2)cc1F
InChIInChI=1S/C13H7BrClF3/c14-9-5-7(1-3-10(9)16)13(15)8-2-4-11(17)12(18)6-8/h1-6,13H
InChIKeyWNYLCDNNMMGXBH-UHFFFAOYSA-N
MW335.55 g/mol
LogP5.19
Rot. Bonds2

About 2-bromo-4-[chloro-(3,4-difluorophenyl)methyl]-1-fluorobenzene

2-bromo-4-[chloro-(3,4-difluorophenyl)methyl]-1-fluorobenzene (PubChem CID 79747375) has the molecular formula C13H7BrClF3 and a molecular weight of 335.55 g/mol. Its IUPAC name is 2-bromo-4-[chloro-(3,4-difluorophenyl)methyl]-1-fluorobenzene.

Molecular Properties

Compound Name2-bromo-4-[chloro-(3,4-difluorophenyl)methyl]-1-fluorobenzene
PubChem CID79747375
Molecular FormulaC13H7BrClF3
Molecular Weight335.55 g/mol
Exact Mass333.94
IUPAC Name2-bromo-4-[chloro-(3,4-difluorophenyl)methyl]-1-fluorobenzene
SMILESFc1ccc(C(Cl)c2ccc(F)c(Br)c2)cc1F
InChIInChI=1S/C13H7BrClF3/c14-9-5-7(1-3-10(9)16)13(15)8-2-4-11(17)12(18)6-8/h1-6,13H
InChIKeyWNYLCDNNMMGXBH-UHFFFAOYSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.55
LogP ≤ 55.19
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-dichlorophenyl)methyl]-1-fluorobenzene
CID 79742771
2-bromo-4-[(3-bromophenyl)-chloromethyl]-1-fluorobenzene
CID 79747210
2-bromo-4-(dichloromethyl)-1-fluorobenzene
CID 70539346
2-bromo-4-[(3-bromo-4-fluorophenyl)-chloromethyl]thiophene
CID 107964882
1,3-dichloro-5-[chloro-(3,4-difluorophenyl)methyl]benzene
CID 63431317
1-bromo-2-[chloro-(3,4-difluorophenyl)methyl]-4-fluorobenzene
CID 55200230
4-[(3-bromo-4-fluorophenyl)-chloromethyl]-2-iodothiophene
CID 79743303
4-[chloro-(3,4-difluorophenyl)methyl]-1-fluoro-2-methylbenzene
CID 63431448
1-[(3-bromo-4-fluorophenyl)-chloromethyl]-4-chloro-2,5-dimethylbenzene
CID 107958916
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)-(4-bromophenyl)methanol
CID 79746542

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[chloro-(3,4-difluorophenyl)methyl]-1-fluorobenzene?
The IUPAC name of 2-bromo-4-[chloro-(3,4-difluorophenyl)methyl]-1-fluorobenzene (CID 79747375) is 2-bromo-4-[chloro-(3,4-difluorophenyl)methyl]-1-fluorobenzene.
What is the SMILES notation for 2-bromo-4-[chloro-(3,4-difluorophenyl)methyl]-1-fluorobenzene?
The canonical SMILES for 2-bromo-4-[chloro-(3,4-difluorophenyl)methyl]-1-fluorobenzene is Fc1ccc(C(Cl)c2ccc(F)c(Br)c2)cc1F.
What is the InChIKey of 2-bromo-4-[chloro-(3,4-difluorophenyl)methyl]-1-fluorobenzene?
The InChIKey is WNYLCDNNMMGXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClF3/c14-9-5-7(1-3-10(9)16)13(15)8-2-4-11(17)12(18)6-8/h1-6,13H.
What are the key properties of 2-bromo-4-[chloro-(3,4-difluorophenyl)methyl]-1-fluorobenzene?
2-bromo-4-[chloro-(3,4-difluorophenyl)methyl]-1-fluorobenzene has a molecular weight of 335.55 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[chloro-(3,4-difluorophenyl)methyl]-1-fluorobenzene is sourced from PubChem (CID 79747375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).