1-[1-bromo-2-(2,5-dimethylphenyl)ethyl]-2,4-difluorobenzene

C16H15BrF2 — CID 55219697

IUPAC1-[1-bromo-2-(2,5-dimethylphenyl)ethyl]-2,4-difluorobenzene
SMILESCc1ccc(C)c(CC(Br)c2ccc(F)cc2F)c1
InChIInChI=1S/C16H15BrF2/c1-10-3-4-11(2)12(7-10)8-15(17)14-6-5-13(18)9-16(14)19/h3-7,9,15H,8H2,1-2H3
InChIKeyADNBNUJVPZPBOQ-UHFFFAOYSA-N
MW325.20 g/mol
LogP5.26
Rot. Bonds3

About 1-[1-bromo-2-(2,5-dimethylphenyl)ethyl]-2,4-difluorobenzene

1-[1-bromo-2-(2,5-dimethylphenyl)ethyl]-2,4-difluorobenzene (PubChem CID 55219697) has the molecular formula C16H15BrF2 and a molecular weight of 325.20 g/mol. Its IUPAC name is 1-[1-bromo-2-(2,5-dimethylphenyl)ethyl]-2,4-difluorobenzene.

Molecular Properties

Compound Name1-[1-bromo-2-(2,5-dimethylphenyl)ethyl]-2,4-difluorobenzene
PubChem CID55219697
Molecular FormulaC16H15BrF2
Molecular Weight325.20 g/mol
Exact Mass324.03
IUPAC Name1-[1-bromo-2-(2,5-dimethylphenyl)ethyl]-2,4-difluorobenzene
SMILESCc1ccc(C)c(CC(Br)c2ccc(F)cc2F)c1
InChIInChI=1S/C16H15BrF2/c1-10-3-4-11(2)12(7-10)8-15(17)14-6-5-13(18)9-16(14)19/h3-7,9,15H,8H2,1-2H3
InChIKeyADNBNUJVPZPBOQ-UHFFFAOYSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.20
LogP ≤ 55.26
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-(2,4-difluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 62538013
1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372816
1-[1-bromo-2-(2,5-dimethylphenyl)ethyl]-3-fluoro-5-methylbenzene
CID 113396025
2-bromo-1-[1-bromo-2-(2,5-dimethylphenyl)ethyl]-4-chlorobenzene
CID 107993440
1-bromo-2-[1-bromo-2-(2,4-difluorophenyl)ethyl]-4-methylbenzene
CID 81116933
2-[2-bromo-2-(5-bromo-2-chlorophenyl)ethyl]-1,4-dimethylbenzene
CID 55222581
2-[2-bromo-2-(2,4-difluorophenyl)ethyl]-3-methylpyridine
CID 66454197
2-[1-bromo-2-(2,5-dimethylphenyl)ethyl]-1,3-difluoro-5-methoxybenzene
CID 63435333
1-[1-bromo-2-(2-methylphenyl)ethyl]-2-chloro-4-fluorobenzene
CID 63544531
2-(2,5-dimethylphenyl)-1-(2,4,6-trifluorophenyl)ethanol
CID 62538036
1-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-2,3-difluorobenzene
CID 63544773
1-(2-chloro-4-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 63419886

Frequently Asked Questions

What is the IUPAC name of 1-[1-bromo-2-(2,5-dimethylphenyl)ethyl]-2,4-difluorobenzene?
The IUPAC name of 1-[1-bromo-2-(2,5-dimethylphenyl)ethyl]-2,4-difluorobenzene (CID 55219697) is 1-[1-bromo-2-(2,5-dimethylphenyl)ethyl]-2,4-difluorobenzene.
What is the SMILES notation for 1-[1-bromo-2-(2,5-dimethylphenyl)ethyl]-2,4-difluorobenzene?
The canonical SMILES for 1-[1-bromo-2-(2,5-dimethylphenyl)ethyl]-2,4-difluorobenzene is Cc1ccc(C)c(CC(Br)c2ccc(F)cc2F)c1.
What is the InChIKey of 1-[1-bromo-2-(2,5-dimethylphenyl)ethyl]-2,4-difluorobenzene?
The InChIKey is ADNBNUJVPZPBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrF2/c1-10-3-4-11(2)12(7-10)8-15(17)14-6-5-13(18)9-16(14)19/h3-7,9,15H,8H2,1-2H3.
What are the key properties of 1-[1-bromo-2-(2,5-dimethylphenyl)ethyl]-2,4-difluorobenzene?
1-[1-bromo-2-(2,5-dimethylphenyl)ethyl]-2,4-difluorobenzene has a molecular weight of 325.20 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-bromo-2-(2,5-dimethylphenyl)ethyl]-2,4-difluorobenzene is sourced from PubChem (CID 55219697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).