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

C14H11Br2F — CID 79746903

IUPAC4-[bromo-(3-bromophenyl)methyl]-1-fluoro-2-methylbenzene
SMILESCc1cc(C(Br)c2cccc(Br)c2)ccc1F
InChIInChI=1S/C14H11Br2F/c1-9-7-11(5-6-13(9)17)14(16)10-3-2-4-12(15)8-10/h2-8,14H,1H3
InChIKeyOJUBYWFCSOQOAA-UHFFFAOYSA-N
MW358.05 g/mol
LogP5.38
Rot. Bonds2

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

4-[bromo-(3-bromophenyl)methyl]-1-fluoro-2-methylbenzene (PubChem CID 79746903) has the molecular formula C14H11Br2F and a molecular weight of 358.05 g/mol. Its IUPAC name is 4-[bromo-(3-bromophenyl)methyl]-1-fluoro-2-methylbenzene.

Molecular Properties

Compound Name4-[bromo-(3-bromophenyl)methyl]-1-fluoro-2-methylbenzene
PubChem CID79746903
Molecular FormulaC14H11Br2F
Molecular Weight358.05 g/mol
Exact Mass355.92
IUPAC Name4-[bromo-(3-bromophenyl)methyl]-1-fluoro-2-methylbenzene
SMILESCc1cc(C(Br)c2cccc(Br)c2)ccc1F
InChIInChI=1S/C14H11Br2F/c1-9-7-11(5-6-13(9)17)14(16)10-3-2-4-12(15)8-10/h2-8,14H,1H3
InChIKeyOJUBYWFCSOQOAA-UHFFFAOYSA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.05
LogP ≤ 55.38
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-1-[bromo-(4-fluoro-3-methylphenyl)methyl]-2-methylbenzene
CID 79747238
2-bromo-4-[bromo-(4-fluoro-3-methylphenyl)methyl]-1-chlorobenzene
CID 114024957
2-bromo-4-[bromo-(3-methylphenyl)methyl]-1-fluorobenzene
CID 79742867
4-[bromo-(3-chloro-4-methylphenyl)methyl]-1-fluoro-2-methylbenzene
CID 79747074
(3,5-dibromophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 107978317
2-[bromo-(4-fluoro-3-methylphenyl)methyl]-1-chloro-3-fluorobenzene
CID 79747491
3-[bromo-(4-fluoro-3-methylphenyl)methyl]thiophene
CID 79746992
2-bromo-5-[bromo-(4-fluoro-3-methylphenyl)methyl]furan
CID 79746986
4-[bromo-(4-propan-2-yloxyphenyl)methyl]-1-fluoro-2-methylbenzene
CID 63441611
N-[(3-bromophenyl)-(2,6-difluoro-3-methylphenyl)methyl]ethanamine
CID 82823036
4-[(1R)-1-bromo-2,2,2-trifluoroethyl]-1-fluoro-2-methylbenzene
CID 124512118
1,4-dibromo-2-[bromo-(3-bromophenyl)methyl]-5-methylbenzene
CID 81470930

Frequently Asked Questions

What is the IUPAC name of 4-[bromo-(3-bromophenyl)methyl]-1-fluoro-2-methylbenzene?
The IUPAC name of 4-[bromo-(3-bromophenyl)methyl]-1-fluoro-2-methylbenzene (CID 79746903) is 4-[bromo-(3-bromophenyl)methyl]-1-fluoro-2-methylbenzene.
What is the SMILES notation for 4-[bromo-(3-bromophenyl)methyl]-1-fluoro-2-methylbenzene?
The canonical SMILES for 4-[bromo-(3-bromophenyl)methyl]-1-fluoro-2-methylbenzene is Cc1cc(C(Br)c2cccc(Br)c2)ccc1F.
What is the InChIKey of 4-[bromo-(3-bromophenyl)methyl]-1-fluoro-2-methylbenzene?
The InChIKey is OJUBYWFCSOQOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2F/c1-9-7-11(5-6-13(9)17)14(16)10-3-2-4-12(15)8-10/h2-8,14H,1H3.
What are the key properties of 4-[bromo-(3-bromophenyl)methyl]-1-fluoro-2-methylbenzene?
4-[bromo-(3-bromophenyl)methyl]-1-fluoro-2-methylbenzene has a molecular weight of 358.05 g/mol, XLogP of 5.38, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bromo-(3-bromophenyl)methyl]-1-fluoro-2-methylbenzene is sourced from PubChem (CID 79746903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).