5-[chloro-(3,5-dibromophenyl)methyl]-2-fluoro-1,3-dimethylbenzene

C15H12Br2ClF — CID 107980953

IUPAC5-[chloro-(3,5-dibromophenyl)methyl]-2-fluoro-1,3-dimethylbenzene
SMILESCc1cc(C(Cl)c2cc(Br)cc(Br)c2)cc(C)c1F
InChIInChI=1S/C15H12Br2ClF/c1-8-3-10(4-9(2)15(8)19)14(18)11-5-12(16)7-13(17)6-11/h3-7,14H,1-2H3
InChIKeyNVCPZODALQDGFR-UHFFFAOYSA-N
MW406.52 g/mol
LogP6.30
Rot. Bonds2

About 5-[chloro-(3,5-dibromophenyl)methyl]-2-fluoro-1,3-dimethylbenzene

5-[chloro-(3,5-dibromophenyl)methyl]-2-fluoro-1,3-dimethylbenzene (PubChem CID 107980953) has the molecular formula C15H12Br2ClF and a molecular weight of 406.52 g/mol. Its IUPAC name is 5-[chloro-(3,5-dibromophenyl)methyl]-2-fluoro-1,3-dimethylbenzene.

Molecular Properties

Compound Name5-[chloro-(3,5-dibromophenyl)methyl]-2-fluoro-1,3-dimethylbenzene
PubChem CID107980953
Molecular FormulaC15H12Br2ClF
Molecular Weight406.52 g/mol
Exact Mass403.90
IUPAC Name5-[chloro-(3,5-dibromophenyl)methyl]-2-fluoro-1,3-dimethylbenzene
SMILESCc1cc(C(Cl)c2cc(Br)cc(Br)c2)cc(C)c1F
InChIInChI=1S/C15H12Br2ClF/c1-8-3-10(4-9(2)15(8)19)14(18)11-5-12(16)7-13(17)6-11/h3-7,14H,1-2H3
InChIKeyNVCPZODALQDGFR-UHFFFAOYSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.52
LogP ≤ 56.30
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-[(4-bromo-3-chlorophenyl)-chloromethyl]-2-fluoro-1,3-dimethylbenzene
CID 81308101
1-[chloro-(3,5-dibromophenyl)methyl]-2,4-difluoro-5-methylbenzene
CID 114023654
3-[chloro-(3,5-dibromophenyl)methyl]-1,2,4,5-tetramethylbenzene
CID 107980826
4-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]-2-iodothiophene
CID 79684320
2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]-1,3-difluoro-4-methylbenzene
CID 82816267
1-[(3-bromo-5-chlorophenyl)-chloromethyl]-2,5-difluoro-4-methylbenzene
CID 107959015
5-[chloro-(2,3-difluorophenyl)methyl]-2-fluoro-1,3-dimethylbenzene
CID 65297096
2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]furan
CID 65296654
1-bromo-3-[chloro-(4-propan-2-ylphenyl)methyl]-5-fluorobenzene
CID 63434558
5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-2-fluoro-1,3-dimethylbenzene
CID 66476187
2-[(3-bromo-5-fluorophenyl)-chloromethyl]-5-methylthiophene
CID 63431013
1-(3-bromophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 65299050

Frequently Asked Questions

What is the IUPAC name of 5-[chloro-(3,5-dibromophenyl)methyl]-2-fluoro-1,3-dimethylbenzene?
The IUPAC name of 5-[chloro-(3,5-dibromophenyl)methyl]-2-fluoro-1,3-dimethylbenzene (CID 107980953) is 5-[chloro-(3,5-dibromophenyl)methyl]-2-fluoro-1,3-dimethylbenzene.
What is the SMILES notation for 5-[chloro-(3,5-dibromophenyl)methyl]-2-fluoro-1,3-dimethylbenzene?
The canonical SMILES for 5-[chloro-(3,5-dibromophenyl)methyl]-2-fluoro-1,3-dimethylbenzene is Cc1cc(C(Cl)c2cc(Br)cc(Br)c2)cc(C)c1F.
What is the InChIKey of 5-[chloro-(3,5-dibromophenyl)methyl]-2-fluoro-1,3-dimethylbenzene?
The InChIKey is NVCPZODALQDGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2ClF/c1-8-3-10(4-9(2)15(8)19)14(18)11-5-12(16)7-13(17)6-11/h3-7,14H,1-2H3.
What are the key properties of 5-[chloro-(3,5-dibromophenyl)methyl]-2-fluoro-1,3-dimethylbenzene?
5-[chloro-(3,5-dibromophenyl)methyl]-2-fluoro-1,3-dimethylbenzene has a molecular weight of 406.52 g/mol, XLogP of 6.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro-(3,5-dibromophenyl)methyl]-2-fluoro-1,3-dimethylbenzene is sourced from PubChem (CID 107980953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).