4-[bromo-(3,4-dichlorophenyl)methyl]-2-fluoro-1-methylbenzene

C14H10BrCl2F — CID 55197637

IUPAC4-[bromo-(3,4-dichlorophenyl)methyl]-2-fluoro-1-methylbenzene
SMILESCc1ccc(C(Br)c2ccc(Cl)c(Cl)c2)cc1F
InChIInChI=1S/C14H10BrCl2F/c1-8-2-3-10(7-13(8)18)14(15)9-4-5-11(16)12(17)6-9/h2-7,14H,1H3
InChIKeyXZKHPLXMWRFJCL-UHFFFAOYSA-N
MW348.04 g/mol
LogP5.93
Rot. Bonds2

About 4-[bromo-(3,4-dichlorophenyl)methyl]-2-fluoro-1-methylbenzene

4-[bromo-(3,4-dichlorophenyl)methyl]-2-fluoro-1-methylbenzene (PubChem CID 55197637) has the molecular formula C14H10BrCl2F and a molecular weight of 348.04 g/mol. Its IUPAC name is 4-[bromo-(3,4-dichlorophenyl)methyl]-2-fluoro-1-methylbenzene.

Molecular Properties

Compound Name4-[bromo-(3,4-dichlorophenyl)methyl]-2-fluoro-1-methylbenzene
PubChem CID55197637
Molecular FormulaC14H10BrCl2F
Molecular Weight348.04 g/mol
Exact Mass345.93
IUPAC Name4-[bromo-(3,4-dichlorophenyl)methyl]-2-fluoro-1-methylbenzene
SMILESCc1ccc(C(Br)c2ccc(Cl)c(Cl)c2)cc1F
InChIInChI=1S/C14H10BrCl2F/c1-8-2-3-10(7-13(8)18)14(15)9-4-5-11(16)12(17)6-9/h2-7,14H,1H3
InChIKeyXZKHPLXMWRFJCL-UHFFFAOYSA-N
XLogP5.93
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 ≤ 55.93
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-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,2-dichlorobenzene
CID 107991747
4-[bromo-(3-chloro-4-methylphenyl)methyl]-1-fluoro-2-methylbenzene
CID 79747074
4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2-fluoro-1-methylbenzene
CID 63531447
4-[bromo-(4-fluorophenyl)methyl]-1,2-dichlorobenzene
CID 63437327
3-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,2,4,5-tetramethylbenzene
CID 107991664
N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 43492849
(4-chloro-3-methylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 107130625
N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine
CID 43497580
2-bromo-4-[bromo-(4-fluoro-3-methylphenyl)methyl]-1-chlorobenzene
CID 114024957
1-[bromo-(3,4-dichlorophenyl)methyl]-2-chloro-4,5-difluorobenzene
CID 107477662
(4-chloro-3-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 107996089
2-[bromo-(3-chloro-4-methylphenyl)methyl]-1,3,5-trifluorobenzene
CID 63438556

Frequently Asked Questions

What is the IUPAC name of 4-[bromo-(3,4-dichlorophenyl)methyl]-2-fluoro-1-methylbenzene?
The IUPAC name of 4-[bromo-(3,4-dichlorophenyl)methyl]-2-fluoro-1-methylbenzene (CID 55197637) is 4-[bromo-(3,4-dichlorophenyl)methyl]-2-fluoro-1-methylbenzene.
What is the SMILES notation for 4-[bromo-(3,4-dichlorophenyl)methyl]-2-fluoro-1-methylbenzene?
The canonical SMILES for 4-[bromo-(3,4-dichlorophenyl)methyl]-2-fluoro-1-methylbenzene is Cc1ccc(C(Br)c2ccc(Cl)c(Cl)c2)cc1F.
What is the InChIKey of 4-[bromo-(3,4-dichlorophenyl)methyl]-2-fluoro-1-methylbenzene?
The InChIKey is XZKHPLXMWRFJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2F/c1-8-2-3-10(7-13(8)18)14(15)9-4-5-11(16)12(17)6-9/h2-7,14H,1H3.
What are the key properties of 4-[bromo-(3,4-dichlorophenyl)methyl]-2-fluoro-1-methylbenzene?
4-[bromo-(3,4-dichlorophenyl)methyl]-2-fluoro-1-methylbenzene has a molecular weight of 348.04 g/mol, XLogP of 5.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bromo-(3,4-dichlorophenyl)methyl]-2-fluoro-1-methylbenzene is sourced from PubChem (CID 55197637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).