1-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chloro-4-methylbenzene

C14H10Br2ClF — CID 106863207

IUPAC1-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chloro-4-methylbenzene
SMILESCc1ccc(C(Br)c2ccc(F)c(Br)c2)c(Cl)c1
InChIInChI=1S/C14H10Br2ClF/c1-8-2-4-10(12(17)6-8)14(16)9-3-5-13(18)11(15)7-9/h2-7,14H,1H3
InChIKeyXGLBSSUQFNSDPA-UHFFFAOYSA-N
MW392.49 g/mol
LogP6.03
Rot. Bonds2

About 1-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chloro-4-methylbenzene

1-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chloro-4-methylbenzene (PubChem CID 106863207) has the molecular formula C14H10Br2ClF and a molecular weight of 392.49 g/mol. Its IUPAC name is 1-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chloro-4-methylbenzene.

Molecular Properties

Compound Name1-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chloro-4-methylbenzene
PubChem CID106863207
Molecular FormulaC14H10Br2ClF
Molecular Weight392.49 g/mol
Exact Mass389.88
IUPAC Name1-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chloro-4-methylbenzene
SMILESCc1ccc(C(Br)c2ccc(F)c(Br)c2)c(Cl)c1
InChIInChI=1S/C14H10Br2ClF/c1-8-2-4-10(12(17)6-8)14(16)9-3-5-13(18)11(15)7-9/h2-7,14H,1H3
InChIKeyXGLBSSUQFNSDPA-UHFFFAOYSA-N
XLogP6.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.49
LogP ≤ 56.03
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-fluorophenyl)methyl]-2-chloro-4-methylbenzene
CID 106862999
1-[bromo-(3-bromo-4-fluorophenyl)methyl]-3-chloro-2-methylbenzene
CID 107099304
1-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chloro-4,5-dimethoxybenzene
CID 107958779
2-bromo-4-[bromo-(3-methylphenyl)methyl]-1-fluorobenzene
CID 79742867
1-[bromo-(4-fluoro-3-methylphenyl)methyl]-2-chloro-4-methoxybenzene
CID 63442538
1-[bromo-(4-tert-butylphenyl)methyl]-2-chloro-4-methylbenzene
CID 106863049
1-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chloro-3-fluorobenzene
CID 81461691
1-[bromo-(4-methylphenyl)methyl]-4-chloro-2-fluorobenzene
CID 63437001
1-[bromo-(4-fluoro-3-methylphenyl)methyl]-2,4-dimethylbenzene
CID 55199902
1-bromo-3-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chlorobenzene
CID 113403107
2-bromo-4-[bromo-(2,5-dimethylphenyl)methyl]-1-chlorobenzene
CID 107991658
1-[bromo-(3-bromo-4-methoxyphenyl)methyl]-2,4-dichlorobenzene
CID 63435476

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chloro-4-methylbenzene?
The IUPAC name of 1-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chloro-4-methylbenzene (CID 106863207) is 1-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chloro-4-methylbenzene.
What is the SMILES notation for 1-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chloro-4-methylbenzene?
The canonical SMILES for 1-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chloro-4-methylbenzene is Cc1ccc(C(Br)c2ccc(F)c(Br)c2)c(Cl)c1.
What is the InChIKey of 1-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chloro-4-methylbenzene?
The InChIKey is XGLBSSUQFNSDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2ClF/c1-8-2-4-10(12(17)6-8)14(16)9-3-5-13(18)11(15)7-9/h2-7,14H,1H3.
What are the key properties of 1-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chloro-4-methylbenzene?
1-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chloro-4-methylbenzene has a molecular weight of 392.49 g/mol, XLogP of 6.03, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chloro-4-methylbenzene is sourced from PubChem (CID 106863207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).