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

C13H8BrCl2F — CID 107991413

IUPAC2-bromo-4-chloro-1-[chloro-(4-fluorophenyl)methyl]benzene
SMILESFc1ccc(C(Cl)c2ccc(Cl)cc2Br)cc1
InChIInChI=1S/C13H8BrCl2F/c14-12-7-9(15)3-6-11(12)13(16)8-1-4-10(17)5-2-8/h1-7,13H
InChIKeyIAINLIYHRMIAMZ-UHFFFAOYSA-N
MW334.02 g/mol
LogP5.57
Rot. Bonds2

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

2-bromo-4-chloro-1-[chloro-(4-fluorophenyl)methyl]benzene (PubChem CID 107991413) has the molecular formula C13H8BrCl2F and a molecular weight of 334.02 g/mol. Its IUPAC name is 2-bromo-4-chloro-1-[chloro-(4-fluorophenyl)methyl]benzene.

Molecular Properties

Compound Name2-bromo-4-chloro-1-[chloro-(4-fluorophenyl)methyl]benzene
PubChem CID107991413
Molecular FormulaC13H8BrCl2F
Molecular Weight334.02 g/mol
Exact Mass331.92
IUPAC Name2-bromo-4-chloro-1-[chloro-(4-fluorophenyl)methyl]benzene
SMILESFc1ccc(C(Cl)c2ccc(Cl)cc2Br)cc1
InChIInChI=1S/C13H8BrCl2F/c14-12-7-9(15)3-6-11(12)13(16)8-1-4-10(17)5-2-8/h1-7,13H
InChIKeyIAINLIYHRMIAMZ-UHFFFAOYSA-N
XLogP5.57
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 ≤ 55.57
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

4-chloro-1-[chloro-(4-fluorophenyl)methyl]-2-fluorobenzene
CID 55198108
2-bromo-4-chloro-1-[chloro-(4-fluoro-3-methylphenyl)methyl]benzene
CID 107992000
2,4-dibromo-1-[chloro-(4-chlorophenyl)methyl]benzene
CID 107955847
2-chloro-1-[chloro-(4-chlorophenyl)methyl]-4-fluorobenzene
CID 63429018
4-bromo-1-[chloro-(4-chlorophenyl)methyl]-2-fluorobenzene
CID 55199444
1-[(4-bromophenyl)-chloromethyl]-2,4-dichlorobenzene
CID 63429159
1-[(2-bromo-4-fluorophenyl)-chloromethyl]-2,4-difluorobenzene
CID 63433476
2-bromo-1-[bromo-(3,4-difluorophenyl)methyl]-4-chlorobenzene
CID 114024911
6-[(2-bromo-4-chlorophenyl)-chloromethyl]-2,3-dihydro-1,4-benzodioxine
CID 107991454
1-bromo-2-[chloro-(3,4-difluorophenyl)methyl]-4-fluorobenzene
CID 55200230
2-bromo-1-[(4-butylphenyl)-chloromethyl]-4-fluorobenzene
CID 63431902
6-[(2-bromo-4-chlorophenyl)-chloromethyl]-3,4-dihydro-1H-quinolin-2-one
CID 107991468

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-1-[chloro-(4-fluorophenyl)methyl]benzene?
The IUPAC name of 2-bromo-4-chloro-1-[chloro-(4-fluorophenyl)methyl]benzene (CID 107991413) is 2-bromo-4-chloro-1-[chloro-(4-fluorophenyl)methyl]benzene.
What is the SMILES notation for 2-bromo-4-chloro-1-[chloro-(4-fluorophenyl)methyl]benzene?
The canonical SMILES for 2-bromo-4-chloro-1-[chloro-(4-fluorophenyl)methyl]benzene is Fc1ccc(C(Cl)c2ccc(Cl)cc2Br)cc1.
What is the InChIKey of 2-bromo-4-chloro-1-[chloro-(4-fluorophenyl)methyl]benzene?
The InChIKey is IAINLIYHRMIAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrCl2F/c14-12-7-9(15)3-6-11(12)13(16)8-1-4-10(17)5-2-8/h1-7,13H.
What are the key properties of 2-bromo-4-chloro-1-[chloro-(4-fluorophenyl)methyl]benzene?
2-bromo-4-chloro-1-[chloro-(4-fluorophenyl)methyl]benzene has a molecular weight of 334.02 g/mol, XLogP of 5.57, 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-1-[chloro-(4-fluorophenyl)methyl]benzene is sourced from PubChem (CID 107991413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).