2-bromo-4-chloro-1-[chloro-(4-fluoro-3-methylphenyl)methyl]benzene

C14H10BrCl2F — CID 107992000

IUPAC2-bromo-4-chloro-1-[chloro-(4-fluoro-3-methylphenyl)methyl]benzene
SMILESCc1cc(C(Cl)c2ccc(Cl)cc2Br)ccc1F
InChIInChI=1S/C14H10BrCl2F/c1-8-6-9(2-5-13(8)18)14(17)11-4-3-10(16)7-12(11)15/h2-7,14H,1H3
InChIKeyWQOIQJLTFGMTEA-UHFFFAOYSA-N
MW348.04 g/mol
LogP5.88
Rot. Bonds2

About 2-bromo-4-chloro-1-[chloro-(4-fluoro-3-methylphenyl)methyl]benzene

2-bromo-4-chloro-1-[chloro-(4-fluoro-3-methylphenyl)methyl]benzene (PubChem CID 107992000) has the molecular formula C14H10BrCl2F and a molecular weight of 348.04 g/mol. Its IUPAC name is 2-bromo-4-chloro-1-[chloro-(4-fluoro-3-methylphenyl)methyl]benzene.

Molecular Properties

Compound Name2-bromo-4-chloro-1-[chloro-(4-fluoro-3-methylphenyl)methyl]benzene
PubChem CID107992000
Molecular FormulaC14H10BrCl2F
Molecular Weight348.04 g/mol
Exact Mass345.93
IUPAC Name2-bromo-4-chloro-1-[chloro-(4-fluoro-3-methylphenyl)methyl]benzene
SMILESCc1cc(C(Cl)c2ccc(Cl)cc2Br)ccc1F
InChIInChI=1S/C14H10BrCl2F/c1-8-6-9(2-5-13(8)18)14(17)11-4-3-10(16)7-12(11)15/h2-7,14H,1H3
InChIKeyWQOIQJLTFGMTEA-UHFFFAOYSA-N
XLogP5.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.04
LogP ≤ 55.88
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-1-[chloro-(4-fluorophenyl)methyl]benzene
CID 107991413
1-[bromo-(4-fluoro-3-methylphenyl)methyl]-4-chloro-2-methylbenzene
CID 114028122
4-[chloro-(2-fluorophenyl)methyl]-1-fluoro-2-methylbenzene
CID 79747229
2,4-dibromo-1-[chloro-(4-chlorophenyl)methyl]benzene
CID 107955847
4-[chloro-(3,4-difluorophenyl)methyl]-1-fluoro-2-methylbenzene
CID 63431448
1-[(2-bromo-4-chlorophenyl)-chloromethyl]-2,4-dimethylbenzene
CID 114024870
1-[(3-bromo-4-fluorophenyl)-chloromethyl]-4-chloro-2,5-dimethylbenzene
CID 107958916
2-bromo-1-[bromo-(3,4-difluorophenyl)methyl]-4-chlorobenzene
CID 114024911
1-[(3-bromo-4-methylphenyl)-chloromethyl]-2,4-difluoro-5-methylbenzene
CID 81476007
1,4-dibromo-2-[(4-bromo-3-fluorophenyl)-chloromethyl]-5-methylbenzene
CID 81474193
6-[(2-bromo-4-chlorophenyl)-chloromethyl]-2,3-dihydro-1,4-benzodioxine
CID 107991454
2-bromo-4-[bromo-(4-fluoro-3-methylphenyl)methyl]-1-chlorobenzene
CID 114024957

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-1-[chloro-(4-fluoro-3-methylphenyl)methyl]benzene?
The IUPAC name of 2-bromo-4-chloro-1-[chloro-(4-fluoro-3-methylphenyl)methyl]benzene (CID 107992000) is 2-bromo-4-chloro-1-[chloro-(4-fluoro-3-methylphenyl)methyl]benzene.
What is the SMILES notation for 2-bromo-4-chloro-1-[chloro-(4-fluoro-3-methylphenyl)methyl]benzene?
The canonical SMILES for 2-bromo-4-chloro-1-[chloro-(4-fluoro-3-methylphenyl)methyl]benzene is Cc1cc(C(Cl)c2ccc(Cl)cc2Br)ccc1F.
What is the InChIKey of 2-bromo-4-chloro-1-[chloro-(4-fluoro-3-methylphenyl)methyl]benzene?
The InChIKey is WQOIQJLTFGMTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2F/c1-8-6-9(2-5-13(8)18)14(17)11-4-3-10(16)7-12(11)15/h2-7,14H,1H3.
What are the key properties of 2-bromo-4-chloro-1-[chloro-(4-fluoro-3-methylphenyl)methyl]benzene?
2-bromo-4-chloro-1-[chloro-(4-fluoro-3-methylphenyl)methyl]benzene has a molecular weight of 348.04 g/mol, XLogP of 5.88, 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-fluoro-3-methylphenyl)methyl]benzene is sourced from PubChem (CID 107992000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).