2-[2-bromo-2-(4-fluoro-3-methylphenyl)ethyl]-1-chloro-3-fluorobenzene

C15H12BrClF2 — CID 63517979

IUPAC2-[2-bromo-2-(4-fluoro-3-methylphenyl)ethyl]-1-chloro-3-fluorobenzene
SMILESCc1cc(C(Br)Cc2c(F)cccc2Cl)ccc1F
InChIInChI=1S/C15H12BrClF2/c1-9-7-10(5-6-14(9)18)12(16)8-11-13(17)3-2-4-15(11)19/h2-7,12H,8H2,1H3
InChIKeyQUZNOYAVYIBOHD-UHFFFAOYSA-N
MW345.61 g/mol
LogP5.61
Rot. Bonds3

About 2-[2-bromo-2-(4-fluoro-3-methylphenyl)ethyl]-1-chloro-3-fluorobenzene

2-[2-bromo-2-(4-fluoro-3-methylphenyl)ethyl]-1-chloro-3-fluorobenzene (PubChem CID 63517979) has the molecular formula C15H12BrClF2 and a molecular weight of 345.61 g/mol. Its IUPAC name is 2-[2-bromo-2-(4-fluoro-3-methylphenyl)ethyl]-1-chloro-3-fluorobenzene.

Molecular Properties

Compound Name2-[2-bromo-2-(4-fluoro-3-methylphenyl)ethyl]-1-chloro-3-fluorobenzene
PubChem CID63517979
Molecular FormulaC15H12BrClF2
Molecular Weight345.61 g/mol
Exact Mass343.98
IUPAC Name2-[2-bromo-2-(4-fluoro-3-methylphenyl)ethyl]-1-chloro-3-fluorobenzene
SMILESCc1cc(C(Br)Cc2c(F)cccc2Cl)ccc1F
InChIInChI=1S/C15H12BrClF2/c1-9-7-10(5-6-14(9)18)12(16)8-11-13(17)3-2-4-15(11)19/h2-7,12H,8H2,1H3
InChIKeyQUZNOYAVYIBOHD-UHFFFAOYSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.61
LogP ≤ 55.61
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-[2-bromo-2-(4-fluorophenyl)ethyl]-1-chloro-3-fluorobenzene
CID 63436939
2-[bromo-(4-fluoro-3-methylphenyl)methyl]-1-chloro-3-fluorobenzene
CID 79747491
1-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-2,4-dichlorobenzene
CID 63444214
2-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-1-fluoro-3-methoxybenzene
CID 65433500
2-(2-chloro-6-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 55138858
2-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-5-methylthiophene
CID 63435833
2-[3-bromo-2-(4-chlorophenyl)propyl]-1-chloro-3-fluorobenzene
CID 79435659
[2-(2-chloro-6-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethyl]hydrazine
CID 105258266
2-(4-bromo-2-methylpentyl)-1-chloro-3-fluorobenzene
CID 64720594
2-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-5-chlorofuran
CID 106689728
2-(2-chloro-6-fluorophenyl)-1-(4-methylphenyl)ethanol
CID 61100900
2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol
CID 82891487

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-2-(4-fluoro-3-methylphenyl)ethyl]-1-chloro-3-fluorobenzene?
The IUPAC name of 2-[2-bromo-2-(4-fluoro-3-methylphenyl)ethyl]-1-chloro-3-fluorobenzene (CID 63517979) is 2-[2-bromo-2-(4-fluoro-3-methylphenyl)ethyl]-1-chloro-3-fluorobenzene.
What is the SMILES notation for 2-[2-bromo-2-(4-fluoro-3-methylphenyl)ethyl]-1-chloro-3-fluorobenzene?
The canonical SMILES for 2-[2-bromo-2-(4-fluoro-3-methylphenyl)ethyl]-1-chloro-3-fluorobenzene is Cc1cc(C(Br)Cc2c(F)cccc2Cl)ccc1F.
What is the InChIKey of 2-[2-bromo-2-(4-fluoro-3-methylphenyl)ethyl]-1-chloro-3-fluorobenzene?
The InChIKey is QUZNOYAVYIBOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClF2/c1-9-7-10(5-6-14(9)18)12(16)8-11-13(17)3-2-4-15(11)19/h2-7,12H,8H2,1H3.
What are the key properties of 2-[2-bromo-2-(4-fluoro-3-methylphenyl)ethyl]-1-chloro-3-fluorobenzene?
2-[2-bromo-2-(4-fluoro-3-methylphenyl)ethyl]-1-chloro-3-fluorobenzene has a molecular weight of 345.61 g/mol, XLogP of 5.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-2-(4-fluoro-3-methylphenyl)ethyl]-1-chloro-3-fluorobenzene is sourced from PubChem (CID 63517979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).