4-[bromo-(4-fluorophenyl)methyl]-1,2-dichlorobenzene

C13H8BrCl2F — CID 63437327

IUPAC4-[bromo-(4-fluorophenyl)methyl]-1,2-dichlorobenzene
SMILESFc1ccc(C(Br)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C13H8BrCl2F/c14-13(8-1-4-10(17)5-2-8)9-3-6-11(15)12(16)7-9/h1-7,13H
InChIKeyCVYDBDSGFJFLFH-UHFFFAOYSA-N
MW334.02 g/mol
LogP5.62
Rot. Bonds2

About 4-[bromo-(4-fluorophenyl)methyl]-1,2-dichlorobenzene

4-[bromo-(4-fluorophenyl)methyl]-1,2-dichlorobenzene (PubChem CID 63437327) has the molecular formula C13H8BrCl2F and a molecular weight of 334.02 g/mol. Its IUPAC name is 4-[bromo-(4-fluorophenyl)methyl]-1,2-dichlorobenzene.

Molecular Properties

Compound Name4-[bromo-(4-fluorophenyl)methyl]-1,2-dichlorobenzene
PubChem CID63437327
Molecular FormulaC13H8BrCl2F
Molecular Weight334.02 g/mol
Exact Mass331.92
IUPAC Name4-[bromo-(4-fluorophenyl)methyl]-1,2-dichlorobenzene
SMILESFc1ccc(C(Br)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C13H8BrCl2F/c14-13(8-1-4-10(17)5-2-8)9-3-6-11(15)12(16)7-9/h1-7,13H
InChIKeyCVYDBDSGFJFLFH-UHFFFAOYSA-N
XLogP5.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.02
LogP ≤ 55.62
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-[bromo-(4-fluorophenyl)methyl]-1-chlorobenzene
CID 107991605
4-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,2-dichlorobenzene
CID 107991747
1-[bromo-(3,4-dichlorophenyl)methyl]-2,4-difluorobenzene
CID 63442364
4-[bromo-(3,4-dichlorophenyl)methyl]-2-fluoro-1-methylbenzene
CID 55197637
4-[1-bromo-2-(4-fluorophenyl)ethyl]-1,2-dichlorobenzene
CID 63444797
(3,4-dichlorophenyl)-(4-fluorophenyl)methanamine
CID 43184820
1-[bromo-(3,4-dichlorophenyl)methyl]-2-chloro-4,5-difluorobenzene
CID 107477662
2-[bromo-(3,4-dichlorophenyl)methyl]-4-fluoro-1-methoxybenzene
CID 63441083
4-[bromo-[4-(2-methylbutan-2-yl)phenyl]methyl]-1,2-dichlorobenzene
CID 66259978
1-[bromo-(3,4-dichlorophenyl)methyl]-3,5-dimethoxybenzene
CID 63444752
4-[bromo-(3,4-dichlorophenyl)methyl]-2-methylfuran
CID 114822530
1-[bromo-(4-fluorophenyl)methyl]-2-chloro-4-methylbenzene
CID 106862999

Frequently Asked Questions

What is the IUPAC name of 4-[bromo-(4-fluorophenyl)methyl]-1,2-dichlorobenzene?
The IUPAC name of 4-[bromo-(4-fluorophenyl)methyl]-1,2-dichlorobenzene (CID 63437327) is 4-[bromo-(4-fluorophenyl)methyl]-1,2-dichlorobenzene.
What is the SMILES notation for 4-[bromo-(4-fluorophenyl)methyl]-1,2-dichlorobenzene?
The canonical SMILES for 4-[bromo-(4-fluorophenyl)methyl]-1,2-dichlorobenzene is Fc1ccc(C(Br)c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 4-[bromo-(4-fluorophenyl)methyl]-1,2-dichlorobenzene?
The InChIKey is CVYDBDSGFJFLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrCl2F/c14-13(8-1-4-10(17)5-2-8)9-3-6-11(15)12(16)7-9/h1-7,13H.
What are the key properties of 4-[bromo-(4-fluorophenyl)methyl]-1,2-dichlorobenzene?
4-[bromo-(4-fluorophenyl)methyl]-1,2-dichlorobenzene has a molecular weight of 334.02 g/mol, XLogP of 5.62, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bromo-(4-fluorophenyl)methyl]-1,2-dichlorobenzene is sourced from PubChem (CID 63437327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).