2-[bromo-(2-bromo-6-fluorophenyl)methyl]-1,3,5-trimethylbenzene

C16H15Br2F — CID 114560632

IUPAC2-[bromo-(2-bromo-6-fluorophenyl)methyl]-1,3,5-trimethylbenzene
SMILESCc1cc(C)c(C(Br)c2c(F)cccc2Br)c(C)c1
InChIInChI=1S/C16H15Br2F/c1-9-7-10(2)14(11(3)8-9)16(18)15-12(17)5-4-6-13(15)19/h4-8,16H,1-3H3
InChIKeyIEINBAOYGDTENR-UHFFFAOYSA-N
MW386.10 g/mol
LogP6.00
Rot. Bonds2

About 2-[bromo-(2-bromo-6-fluorophenyl)methyl]-1,3,5-trimethylbenzene

2-[bromo-(2-bromo-6-fluorophenyl)methyl]-1,3,5-trimethylbenzene (PubChem CID 114560632) has the molecular formula C16H15Br2F and a molecular weight of 386.10 g/mol. Its IUPAC name is 2-[bromo-(2-bromo-6-fluorophenyl)methyl]-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2-[bromo-(2-bromo-6-fluorophenyl)methyl]-1,3,5-trimethylbenzene
PubChem CID114560632
Molecular FormulaC16H15Br2F
Molecular Weight386.10 g/mol
Exact Mass383.95
IUPAC Name2-[bromo-(2-bromo-6-fluorophenyl)methyl]-1,3,5-trimethylbenzene
SMILESCc1cc(C)c(C(Br)c2c(F)cccc2Br)c(C)c1
InChIInChI=1S/C16H15Br2F/c1-9-7-10(2)14(11(3)8-9)16(18)15-12(17)5-4-6-13(15)19/h4-8,16H,1-3H3
InChIKeyIEINBAOYGDTENR-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

1-bromo-2-[bromo-(4-methoxy-2-methylphenyl)methyl]-3-fluorobenzene
CID 114560622
(2-bromo-6-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 114560510
2,3-dibromo-5-[bromo-(2-bromo-6-fluorophenyl)methyl]thiophene
CID 114560719
2-[bromo-(4-bromo-3-methylphenyl)methyl]-1,3,5-trimethylbenzene
CID 113396942
1-[(2-bromo-6-fluorophenyl)-chloromethyl]-4-chloro-2,5-dimethylbenzene
CID 114560686
[(2-bromo-6-fluorophenyl)-(3-fluoro-5-methylphenyl)methyl]hydrazine
CID 105280555
1-bromo-2-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-3-fluorobenzene
CID 114560660
1-bromo-4-[bromo-(2,4,6-trimethylphenyl)methyl]-2-chloro-5-fluorobenzene
CID 105400116
2-[bromo-(2-bromo-5-methylphenyl)methyl]-1,3,5-trimethylbenzene
CID 81112447
1-bromo-2-[bromo-(4-butan-2-ylphenyl)methyl]-3-fluorobenzene
CID 114560623
(2-bromo-6-fluorophenyl)-(2-fluoro-5-methylphenyl)methanol
CID 114885762
1-bromo-2-[bromo-(2-bromo-4-ethoxyphenyl)methyl]-3-fluorobenzene
CID 114560713

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(2-bromo-6-fluorophenyl)methyl]-1,3,5-trimethylbenzene?
The IUPAC name of 2-[bromo-(2-bromo-6-fluorophenyl)methyl]-1,3,5-trimethylbenzene (CID 114560632) is 2-[bromo-(2-bromo-6-fluorophenyl)methyl]-1,3,5-trimethylbenzene.
What is the SMILES notation for 2-[bromo-(2-bromo-6-fluorophenyl)methyl]-1,3,5-trimethylbenzene?
The canonical SMILES for 2-[bromo-(2-bromo-6-fluorophenyl)methyl]-1,3,5-trimethylbenzene is Cc1cc(C)c(C(Br)c2c(F)cccc2Br)c(C)c1.
What is the InChIKey of 2-[bromo-(2-bromo-6-fluorophenyl)methyl]-1,3,5-trimethylbenzene?
The InChIKey is IEINBAOYGDTENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2F/c1-9-7-10(2)14(11(3)8-9)16(18)15-12(17)5-4-6-13(15)19/h4-8,16H,1-3H3.
What are the key properties of 2-[bromo-(2-bromo-6-fluorophenyl)methyl]-1,3,5-trimethylbenzene?
2-[bromo-(2-bromo-6-fluorophenyl)methyl]-1,3,5-trimethylbenzene 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-(2-bromo-6-fluorophenyl)methyl]-1,3,5-trimethylbenzene is sourced from PubChem (CID 114560632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).