2-bromo-4-[(3-bromophenyl)-chloromethyl]-1-fluorobenzene

C13H8Br2ClF — CID 79747210

IUPAC2-bromo-4-[(3-bromophenyl)-chloromethyl]-1-fluorobenzene
SMILESFc1ccc(C(Cl)c2cccc(Br)c2)cc1Br
InChIInChI=1S/C13H8Br2ClF/c14-10-3-1-2-8(6-10)13(16)9-4-5-12(17)11(15)7-9/h1-7,13H
InChIKeySVKVPWYDCZYDLY-UHFFFAOYSA-N
MW378.47 g/mol
LogP5.68
Rot. Bonds2

About 2-bromo-4-[(3-bromophenyl)-chloromethyl]-1-fluorobenzene

2-bromo-4-[(3-bromophenyl)-chloromethyl]-1-fluorobenzene (PubChem CID 79747210) has the molecular formula C13H8Br2ClF and a molecular weight of 378.47 g/mol. Its IUPAC name is 2-bromo-4-[(3-bromophenyl)-chloromethyl]-1-fluorobenzene.

Molecular Properties

Compound Name2-bromo-4-[(3-bromophenyl)-chloromethyl]-1-fluorobenzene
PubChem CID79747210
Molecular FormulaC13H8Br2ClF
Molecular Weight378.47 g/mol
Exact Mass375.87
IUPAC Name2-bromo-4-[(3-bromophenyl)-chloromethyl]-1-fluorobenzene
SMILESFc1ccc(C(Cl)c2cccc(Br)c2)cc1Br
InChIInChI=1S/C13H8Br2ClF/c14-10-3-1-2-8(6-10)13(16)9-4-5-12(17)11(15)7-9/h1-7,13H
InChIKeySVKVPWYDCZYDLY-UHFFFAOYSA-N
XLogP5.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.47
LogP ≤ 55.68
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-[chloro-(3,4-dichlorophenyl)methyl]-1-fluorobenzene
CID 79742771
2-bromo-4-[chloro-(2-chloro-6-fluorophenyl)methyl]-1-fluorobenzene
CID 79743561
N-[(3-bromo-4-fluorophenyl)-(3-bromophenyl)methyl]ethanamine
CID 79747194
2-bromo-4-(dichloromethyl)-1-fluorobenzene
CID 70539346
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-bromophenyl)-chloromethyl]-2,4-difluorobenzene
CID 63433564
(3-bromo-4-fluorophenyl)-(4-bromophenyl)methanol
CID 79746542
2-bromo-4-[bromo-(3-methylphenyl)methyl]-1-fluorobenzene
CID 79742867
2-[(3-bromophenyl)-chloromethyl]-6-methoxynaphthalene
CID 63443947
4-[(3-bromo-4-fluorophenyl)-chloromethyl]-2-iodothiophene
CID 79743303

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(3-bromophenyl)-chloromethyl]-1-fluorobenzene?
The IUPAC name of 2-bromo-4-[(3-bromophenyl)-chloromethyl]-1-fluorobenzene (CID 79747210) is 2-bromo-4-[(3-bromophenyl)-chloromethyl]-1-fluorobenzene.
What is the SMILES notation for 2-bromo-4-[(3-bromophenyl)-chloromethyl]-1-fluorobenzene?
The canonical SMILES for 2-bromo-4-[(3-bromophenyl)-chloromethyl]-1-fluorobenzene is Fc1ccc(C(Cl)c2cccc(Br)c2)cc1Br.
What is the InChIKey of 2-bromo-4-[(3-bromophenyl)-chloromethyl]-1-fluorobenzene?
The InChIKey is SVKVPWYDCZYDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2ClF/c14-10-3-1-2-8(6-10)13(16)9-4-5-12(17)11(15)7-9/h1-7,13H.
What are the key properties of 2-bromo-4-[(3-bromophenyl)-chloromethyl]-1-fluorobenzene?
2-bromo-4-[(3-bromophenyl)-chloromethyl]-1-fluorobenzene has a molecular weight of 378.47 g/mol, XLogP of 5.68, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(3-bromophenyl)-chloromethyl]-1-fluorobenzene is sourced from PubChem (CID 79747210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).