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

C13H7BrCl3F — CID 79742771

IUPAC2-bromo-4-[chloro-(3,4-dichlorophenyl)methyl]-1-fluorobenzene
SMILESFc1ccc(C(Cl)c2ccc(Cl)c(Cl)c2)cc1Br
InChIInChI=1S/C13H7BrCl3F/c14-9-5-7(2-4-12(9)18)13(17)8-1-3-10(15)11(16)6-8/h1-6,13H
InChIKeyKDWFMPOORCMJFQ-UHFFFAOYSA-N
MW368.46 g/mol
LogP6.22
Rot. Bonds2

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

2-bromo-4-[chloro-(3,4-dichlorophenyl)methyl]-1-fluorobenzene (PubChem CID 79742771) has the molecular formula C13H7BrCl3F and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-bromo-4-[chloro-(3,4-dichlorophenyl)methyl]-1-fluorobenzene.

Molecular Properties

Compound Name2-bromo-4-[chloro-(3,4-dichlorophenyl)methyl]-1-fluorobenzene
PubChem CID79742771
Molecular FormulaC13H7BrCl3F
Molecular Weight368.46 g/mol
Exact Mass365.88
IUPAC Name2-bromo-4-[chloro-(3,4-dichlorophenyl)methyl]-1-fluorobenzene
SMILESFc1ccc(C(Cl)c2ccc(Cl)c(Cl)c2)cc1Br
InChIInChI=1S/C13H7BrCl3F/c14-9-5-7(2-4-12(9)18)13(17)8-1-3-10(15)11(16)6-8/h1-6,13H
InChIKeyKDWFMPOORCMJFQ-UHFFFAOYSA-N
XLogP6.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.46
LogP ≤ 56.22
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
(3-bromo-4-fluorophenyl)-(3-chloro-4-fluorophenyl)methanol
CID 82879548
2-bromo-4-[chloro-(3,4-dichlorophenyl)methyl]-1-methylbenzene
CID 81476163
2-bromo-4-[chloro-(2-chloro-6-fluorophenyl)methyl]-1-fluorobenzene
CID 79743561
2-bromo-4-[(3-bromophenyl)-chloromethyl]-1-fluorobenzene
CID 79747210
2-bromo-4-(dichloromethyl)-1-fluorobenzene
CID 70539346
1,2-dichloro-4-[chloro-(4-chloro-2-fluorophenyl)methyl]benzene
CID 63436858
2-bromo-4-[(3-bromo-4-fluorophenyl)-chloromethyl]thiophene
CID 107964882
1-[(3-bromo-4-fluorophenyl)-chloromethyl]-3-chloro-2-fluorobenzene
CID 81263058
1-[(3-bromo-4-fluorophenyl)-chloromethyl]-4-chloro-2,5-dimethylbenzene
CID 107958916
4-[(3-bromo-4-fluorophenyl)-chloromethyl]-2-iodothiophene
CID 79743303
(3-bromo-4-fluorophenyl)-(3,5-dichlorophenyl)methanol
CID 79747618

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[chloro-(3,4-dichlorophenyl)methyl]-1-fluorobenzene?
The IUPAC name of 2-bromo-4-[chloro-(3,4-dichlorophenyl)methyl]-1-fluorobenzene (CID 79742771) is 2-bromo-4-[chloro-(3,4-dichlorophenyl)methyl]-1-fluorobenzene.
What is the SMILES notation for 2-bromo-4-[chloro-(3,4-dichlorophenyl)methyl]-1-fluorobenzene?
The canonical SMILES for 2-bromo-4-[chloro-(3,4-dichlorophenyl)methyl]-1-fluorobenzene is Fc1ccc(C(Cl)c2ccc(Cl)c(Cl)c2)cc1Br.
What is the InChIKey of 2-bromo-4-[chloro-(3,4-dichlorophenyl)methyl]-1-fluorobenzene?
The InChIKey is KDWFMPOORCMJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl3F/c14-9-5-7(2-4-12(9)18)13(17)8-1-3-10(15)11(16)6-8/h1-6,13H.
What are the key properties of 2-bromo-4-[chloro-(3,4-dichlorophenyl)methyl]-1-fluorobenzene?
2-bromo-4-[chloro-(3,4-dichlorophenyl)methyl]-1-fluorobenzene has a molecular weight of 368.46 g/mol, XLogP of 6.22, 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-dichlorophenyl)methyl]-1-fluorobenzene is sourced from PubChem (CID 79742771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).