5-[(4-bromo-3-chlorophenyl)-chloromethyl]-2-fluoro-1,3-dimethylbenzene

C15H12BrCl2F — CID 81308101

IUPAC5-[(4-bromo-3-chlorophenyl)-chloromethyl]-2-fluoro-1,3-dimethylbenzene
SMILESCc1cc(C(Cl)c2ccc(Br)c(Cl)c2)cc(C)c1F
InChIInChI=1S/C15H12BrCl2F/c1-8-5-11(6-9(2)15(8)19)14(18)10-3-4-12(16)13(17)7-10/h3-7,14H,1-2H3
InChIKeyVDESJSDJUBVEPS-UHFFFAOYSA-N
MW362.07 g/mol
LogP6.19
Rot. Bonds2

About 5-[(4-bromo-3-chlorophenyl)-chloromethyl]-2-fluoro-1,3-dimethylbenzene

5-[(4-bromo-3-chlorophenyl)-chloromethyl]-2-fluoro-1,3-dimethylbenzene (PubChem CID 81308101) has the molecular formula C15H12BrCl2F and a molecular weight of 362.07 g/mol. Its IUPAC name is 5-[(4-bromo-3-chlorophenyl)-chloromethyl]-2-fluoro-1,3-dimethylbenzene.

Molecular Properties

Compound Name5-[(4-bromo-3-chlorophenyl)-chloromethyl]-2-fluoro-1,3-dimethylbenzene
PubChem CID81308101
Molecular FormulaC15H12BrCl2F
Molecular Weight362.07 g/mol
Exact Mass359.95
IUPAC Name5-[(4-bromo-3-chlorophenyl)-chloromethyl]-2-fluoro-1,3-dimethylbenzene
SMILESCc1cc(C(Cl)c2ccc(Br)c(Cl)c2)cc(C)c1F
InChIInChI=1S/C15H12BrCl2F/c1-8-5-11(6-9(2)15(8)19)14(18)10-3-4-12(16)13(17)7-10/h3-7,14H,1-2H3
InChIKeyVDESJSDJUBVEPS-UHFFFAOYSA-N
XLogP6.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.07
LogP ≤ 56.19
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

5-[chloro-(3,5-dibromophenyl)methyl]-2-fluoro-1,3-dimethylbenzene
CID 107980953
1,4-dibromo-2-[(4-bromo-3-chlorophenyl)-chloromethyl]-5-methylbenzene
CID 81472967
2-bromo-4-[chloro-(3,4-dichlorophenyl)methyl]-1-methylbenzene
CID 81476163
(4-bromo-3-chlorophenyl)-(3-chloro-4-methylphenyl)methanol
CID 107562230
(3-chloro-4-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)methanol
CID 65296780
(4-bromo-3-chlorophenyl)-(3-fluoro-5-methylphenyl)methanol
CID 115823118
1-bromo-2-chloro-4-propan-2-ylbenzene
CID 20739733
N-[(4-bromo-3-chlorophenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 81290677
2-bromo-4-[chloro-(3,4-dichlorophenyl)methyl]-1-fluorobenzene
CID 79742771
1-chloro-4-[chloro-(3,4-dimethylphenyl)methyl]-2-fluorobenzene
CID 107991387
1-(3-bromo-4-chlorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 107998784
1-[bromo-(4-bromo-3-chlorophenyl)methyl]-4-chloro-2,5-dimethylbenzene
CID 81307571

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-3-chlorophenyl)-chloromethyl]-2-fluoro-1,3-dimethylbenzene?
The IUPAC name of 5-[(4-bromo-3-chlorophenyl)-chloromethyl]-2-fluoro-1,3-dimethylbenzene (CID 81308101) is 5-[(4-bromo-3-chlorophenyl)-chloromethyl]-2-fluoro-1,3-dimethylbenzene.
What is the SMILES notation for 5-[(4-bromo-3-chlorophenyl)-chloromethyl]-2-fluoro-1,3-dimethylbenzene?
The canonical SMILES for 5-[(4-bromo-3-chlorophenyl)-chloromethyl]-2-fluoro-1,3-dimethylbenzene is Cc1cc(C(Cl)c2ccc(Br)c(Cl)c2)cc(C)c1F.
What is the InChIKey of 5-[(4-bromo-3-chlorophenyl)-chloromethyl]-2-fluoro-1,3-dimethylbenzene?
The InChIKey is VDESJSDJUBVEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrCl2F/c1-8-5-11(6-9(2)15(8)19)14(18)10-3-4-12(16)13(17)7-10/h3-7,14H,1-2H3.
What are the key properties of 5-[(4-bromo-3-chlorophenyl)-chloromethyl]-2-fluoro-1,3-dimethylbenzene?
5-[(4-bromo-3-chlorophenyl)-chloromethyl]-2-fluoro-1,3-dimethylbenzene has a molecular weight of 362.07 g/mol, XLogP of 6.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-3-chlorophenyl)-chloromethyl]-2-fluoro-1,3-dimethylbenzene is sourced from PubChem (CID 81308101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).