2-bromo-4-[chloro-(2-chloro-6-fluorophenyl)methyl]-1-fluorobenzene

C13H7BrCl2F2 — CID 79743561

IUPAC2-bromo-4-[chloro-(2-chloro-6-fluorophenyl)methyl]-1-fluorobenzene
SMILESFc1ccc(C(Cl)c2c(F)cccc2Cl)cc1Br
InChIInChI=1S/C13H7BrCl2F2/c14-8-6-7(4-5-10(8)17)13(16)12-9(15)2-1-3-11(12)18/h1-6,13H
InChIKeyUKSRYMUVKNMQEL-UHFFFAOYSA-N
MW352.01 g/mol
LogP5.71
Rot. Bonds2

About 2-bromo-4-[chloro-(2-chloro-6-fluorophenyl)methyl]-1-fluorobenzene

2-bromo-4-[chloro-(2-chloro-6-fluorophenyl)methyl]-1-fluorobenzene (PubChem CID 79743561) has the molecular formula C13H7BrCl2F2 and a molecular weight of 352.01 g/mol. Its IUPAC name is 2-bromo-4-[chloro-(2-chloro-6-fluorophenyl)methyl]-1-fluorobenzene.

Molecular Properties

Compound Name2-bromo-4-[chloro-(2-chloro-6-fluorophenyl)methyl]-1-fluorobenzene
PubChem CID79743561
Molecular FormulaC13H7BrCl2F2
Molecular Weight352.01 g/mol
Exact Mass349.91
IUPAC Name2-bromo-4-[chloro-(2-chloro-6-fluorophenyl)methyl]-1-fluorobenzene
SMILESFc1ccc(C(Cl)c2c(F)cccc2Cl)cc1Br
InChIInChI=1S/C13H7BrCl2F2/c14-8-6-7(4-5-10(8)17)13(16)12-9(15)2-1-3-11(12)18/h1-6,13H
InChIKeyUKSRYMUVKNMQEL-UHFFFAOYSA-N
XLogP5.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.01
LogP ≤ 55.71
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-[(3-bromo-4-fluorophenyl)-chloromethyl]-3-chloro-2-fluorobenzene
CID 81263058
2-bromo-4-[chloro-(3,4-dichlorophenyl)methyl]-1-fluorobenzene
CID 79742771
N-[(3-bromo-4-fluorophenyl)-(2-chloro-6-fluorophenyl)methyl]ethanamine
CID 79747189
2-bromo-4-[(3-bromophenyl)-chloromethyl]-1-fluorobenzene
CID 79747210
2-bromo-4-[chloro-(3,4-difluorophenyl)methyl]-1-fluorobenzene
CID 79747375
2-bromo-4-(dichloromethyl)-1-fluorobenzene
CID 70539346
(2-bromo-6-fluorophenyl)-(3-bromo-4-fluorophenyl)methanamine
CID 114559070
(3-bromo-4-fluorophenyl)-(3-chloro-4-fluorophenyl)methanol
CID 82879548
1-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chloro-3-fluorobenzene
CID 81461691
1-[(3-bromo-4-fluorophenyl)-chloromethyl]-4-chloro-2,5-dimethylbenzene
CID 107958916
1,4-dibromo-2-[chloro-(2-chloro-6-fluorophenyl)methyl]-5-methylbenzene
CID 81473874
2-[bromo-(4-fluoro-3-methylphenyl)methyl]-1-chloro-3-fluorobenzene
CID 79747491

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[chloro-(2-chloro-6-fluorophenyl)methyl]-1-fluorobenzene?
The IUPAC name of 2-bromo-4-[chloro-(2-chloro-6-fluorophenyl)methyl]-1-fluorobenzene (CID 79743561) is 2-bromo-4-[chloro-(2-chloro-6-fluorophenyl)methyl]-1-fluorobenzene.
What is the SMILES notation for 2-bromo-4-[chloro-(2-chloro-6-fluorophenyl)methyl]-1-fluorobenzene?
The canonical SMILES for 2-bromo-4-[chloro-(2-chloro-6-fluorophenyl)methyl]-1-fluorobenzene is Fc1ccc(C(Cl)c2c(F)cccc2Cl)cc1Br.
What is the InChIKey of 2-bromo-4-[chloro-(2-chloro-6-fluorophenyl)methyl]-1-fluorobenzene?
The InChIKey is UKSRYMUVKNMQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl2F2/c14-8-6-7(4-5-10(8)17)13(16)12-9(15)2-1-3-11(12)18/h1-6,13H.
What are the key properties of 2-bromo-4-[chloro-(2-chloro-6-fluorophenyl)methyl]-1-fluorobenzene?
2-bromo-4-[chloro-(2-chloro-6-fluorophenyl)methyl]-1-fluorobenzene has a molecular weight of 352.01 g/mol, XLogP of 5.71, 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-(2-chloro-6-fluorophenyl)methyl]-1-fluorobenzene is sourced from PubChem (CID 79743561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).