2-[bromo-(3-bromo-4-methylphenyl)methyl]-5-fluoro-1,3-dimethylbenzene

C16H15Br2F — CID 106879999

IUPAC2-[bromo-(3-bromo-4-methylphenyl)methyl]-5-fluoro-1,3-dimethylbenzene
SMILESCc1ccc(C(Br)c2c(C)cc(F)cc2C)cc1Br
InChIInChI=1S/C16H15Br2F/c1-9-4-5-12(8-14(9)17)16(18)15-10(2)6-13(19)7-11(15)3/h4-8,16H,1-3H3
InChIKeyPCKYNWXTKPDNAF-UHFFFAOYSA-N
MW386.10 g/mol
LogP6.00
Rot. Bonds2

About 2-[bromo-(3-bromo-4-methylphenyl)methyl]-5-fluoro-1,3-dimethylbenzene

2-[bromo-(3-bromo-4-methylphenyl)methyl]-5-fluoro-1,3-dimethylbenzene (PubChem CID 106879999) has the molecular formula C16H15Br2F and a molecular weight of 386.10 g/mol. Its IUPAC name is 2-[bromo-(3-bromo-4-methylphenyl)methyl]-5-fluoro-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-[bromo-(3-bromo-4-methylphenyl)methyl]-5-fluoro-1,3-dimethylbenzene
PubChem CID106879999
Molecular FormulaC16H15Br2F
Molecular Weight386.10 g/mol
Exact Mass383.95
IUPAC Name2-[bromo-(3-bromo-4-methylphenyl)methyl]-5-fluoro-1,3-dimethylbenzene
SMILESCc1ccc(C(Br)c2c(C)cc(F)cc2C)cc1Br
InChIInChI=1S/C16H15Br2F/c1-9-4-5-12(8-14(9)17)16(18)15-10(2)6-13(19)7-11(15)3/h4-8,16H,1-3H3
InChIKeyPCKYNWXTKPDNAF-UHFFFAOYSA-N
XLogP6.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.10
LogP ≤ 56.00
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

2-[bromo-(4-propan-2-ylphenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 106880016
2-bromo-4-[bromo-(4-bromophenyl)methyl]-1-methylbenzene
CID 81476813
2-[bromo-(4-bromo-3-methylphenyl)methyl]-1,3,5-trimethylbenzene
CID 113396942
2-[bromo-(2-bromo-5-fluorophenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 106879985
2-[bromo-(2,5-dibromophenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 106880040
2-[bromo-(3,4-dimethylphenyl)methyl]-1,3,5-trimethylbenzene
CID 55197972
5-[bromo-(3-bromo-4-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 81476485
2-[bromo-(4-ethoxyphenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 106880050
2-[bromo-(3-chloro-4-methylphenyl)methyl]-1,3,5-trifluorobenzene
CID 63438556
2-bromo-4-[bromo-(4-butan-2-ylphenyl)methyl]-1-methylbenzene
CID 81476566
2-[bromo-(3-bromo-4-methylphenyl)methyl]-5-methylthiophene
CID 81476406
2,5-dibromo-3-[bromo-(3-bromo-4-methylphenyl)methyl]thiophene
CID 81475828

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(3-bromo-4-methylphenyl)methyl]-5-fluoro-1,3-dimethylbenzene?
The IUPAC name of 2-[bromo-(3-bromo-4-methylphenyl)methyl]-5-fluoro-1,3-dimethylbenzene (CID 106879999) is 2-[bromo-(3-bromo-4-methylphenyl)methyl]-5-fluoro-1,3-dimethylbenzene.
What is the SMILES notation for 2-[bromo-(3-bromo-4-methylphenyl)methyl]-5-fluoro-1,3-dimethylbenzene?
The canonical SMILES for 2-[bromo-(3-bromo-4-methylphenyl)methyl]-5-fluoro-1,3-dimethylbenzene is Cc1ccc(C(Br)c2c(C)cc(F)cc2C)cc1Br.
What is the InChIKey of 2-[bromo-(3-bromo-4-methylphenyl)methyl]-5-fluoro-1,3-dimethylbenzene?
The InChIKey is PCKYNWXTKPDNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2F/c1-9-4-5-12(8-14(9)17)16(18)15-10(2)6-13(19)7-11(15)3/h4-8,16H,1-3H3.
What are the key properties of 2-[bromo-(3-bromo-4-methylphenyl)methyl]-5-fluoro-1,3-dimethylbenzene?
2-[bromo-(3-bromo-4-methylphenyl)methyl]-5-fluoro-1,3-dimethylbenzene has a molecular weight of 386.10 g/mol, XLogP of 6.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(3-bromo-4-methylphenyl)methyl]-5-fluoro-1,3-dimethylbenzene is sourced from PubChem (CID 106879999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).