1-[bromo-(4-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoro-5-methylbenzene

C14H9Br2Cl2F — CID 81050980

IUPAC1-[bromo-(4-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoro-5-methylbenzene
SMILESCc1cc(C(Br)c2ccc(Br)cc2Cl)c(Cl)cc1F
InChIInChI=1S/C14H9Br2Cl2F/c1-7-4-10(12(18)6-13(7)19)14(16)9-3-2-8(15)5-11(9)17/h2-6,14H,1H3
InChIKeyOOLKGMZHCGGVEF-UHFFFAOYSA-N
MW426.94 g/mol
LogP6.69
Rot. Bonds2

About 1-[bromo-(4-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoro-5-methylbenzene

1-[bromo-(4-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoro-5-methylbenzene (PubChem CID 81050980) has the molecular formula C14H9Br2Cl2F and a molecular weight of 426.94 g/mol. Its IUPAC name is 1-[bromo-(4-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoro-5-methylbenzene.

Molecular Properties

Compound Name1-[bromo-(4-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoro-5-methylbenzene
PubChem CID81050980
Molecular FormulaC14H9Br2Cl2F
Molecular Weight426.94 g/mol
Exact Mass423.84
IUPAC Name1-[bromo-(4-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoro-5-methylbenzene
SMILESCc1cc(C(Br)c2ccc(Br)cc2Cl)c(Cl)cc1F
InChIInChI=1S/C14H9Br2Cl2F/c1-7-4-10(12(18)6-13(7)19)14(16)9-3-2-8(15)5-11(9)17/h2-6,14H,1H3
InChIKeyOOLKGMZHCGGVEF-UHFFFAOYSA-N
XLogP6.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.94
LogP ≤ 56.69
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-[bromo-(4-chloro-2-methylphenyl)methyl]-2-chloro-4-fluoro-5-methylbenzene
CID 114028124
1-[bromo-(3-chloro-2-methylphenyl)methyl]-2-chloro-4-fluoro-5-methylbenzene
CID 107099330
1-[bromo-(4-bromo-2-methylphenyl)methyl]-2-chloro-4,5-dimethylbenzene
CID 113319689
1-[bromo-(5-bromo-2-fluorophenyl)methyl]-2-chloro-4,5-difluorobenzene
CID 107477553
1-(4-bromo-2-chlorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine
CID 79725078
1-[bromo-(2-methylsulfanylphenyl)methyl]-2-chloro-4-fluoro-5-methylbenzene
CID 81050590
1-[bromo-(3,4-difluorophenyl)methyl]-2-chloro-4-fluoro-5-methylbenzene
CID 81050900
2-[bromo-(4-bromo-2-chlorophenyl)methyl]-1,4-dichlorobenzene
CID 63445029
1-(5-bromo-2-methylphenyl)-1-(2-chloro-4-fluoro-5-methylphenyl)-N-methylmethanamine
CID 81045205
1-[bromo-(5-bromo-2-methylphenyl)methyl]-2-chloro-4,5-dimethylbenzene
CID 113319646
1-[(5-bromo-2-fluorophenyl)-chloromethyl]-2-chloro-4,5-dimethylbenzene
CID 115484618
1-[bromo-[4-(trifluoromethyl)phenyl]methyl]-2-chloro-4-fluoro-5-methylbenzene
CID 81047970

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(4-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoro-5-methylbenzene?
The IUPAC name of 1-[bromo-(4-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoro-5-methylbenzene (CID 81050980) is 1-[bromo-(4-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoro-5-methylbenzene.
What is the SMILES notation for 1-[bromo-(4-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoro-5-methylbenzene?
The canonical SMILES for 1-[bromo-(4-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoro-5-methylbenzene is Cc1cc(C(Br)c2ccc(Br)cc2Cl)c(Cl)cc1F.
What is the InChIKey of 1-[bromo-(4-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoro-5-methylbenzene?
The InChIKey is OOLKGMZHCGGVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2Cl2F/c1-7-4-10(12(18)6-13(7)19)14(16)9-3-2-8(15)5-11(9)17/h2-6,14H,1H3.
What are the key properties of 1-[bromo-(4-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoro-5-methylbenzene?
1-[bromo-(4-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoro-5-methylbenzene has a molecular weight of 426.94 g/mol, XLogP of 6.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(4-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoro-5-methylbenzene is sourced from PubChem (CID 81050980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).