1-(1-bromo-2,2,2-trifluoroethyl)-4-chlorobenzene

C8H5BrClF3 — CID 11161644

IUPAC1-(1-bromo-2,2,2-trifluoroethyl)-4-chlorobenzene
SMILESFC(F)(F)C(Br)c1ccc(Cl)cc1
InChIInChI=1S/C8H5BrClF3/c9-7(8(11,12)13)5-1-3-6(10)4-2-5/h1-4,7H
InChIKeyITNDUQJYMQWYAI-UHFFFAOYSA-N
MW273.48 g/mol
LogP4.34
Rot. Bonds1

About 1-(1-bromo-2,2,2-trifluoroethyl)-4-chlorobenzene

1-(1-bromo-2,2,2-trifluoroethyl)-4-chlorobenzene (PubChem CID 11161644) has the molecular formula C8H5BrClF3 and a molecular weight of 273.48 g/mol. Its IUPAC name is 1-(1-bromo-2,2,2-trifluoroethyl)-4-chlorobenzene.

Molecular Properties

Compound Name1-(1-bromo-2,2,2-trifluoroethyl)-4-chlorobenzene
PubChem CID11161644
Molecular FormulaC8H5BrClF3
Molecular Weight273.48 g/mol
Exact Mass271.92
IUPAC Name1-(1-bromo-2,2,2-trifluoroethyl)-4-chlorobenzene
SMILESFC(F)(F)C(Br)c1ccc(Cl)cc1
InChIInChI=1S/C8H5BrClF3/c9-7(8(11,12)13)5-1-3-6(10)4-2-5/h1-4,7H
InChIKeyITNDUQJYMQWYAI-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.48
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-bromo-2,2,2-trifluoroethyl)-4-chlorobenzene?
The IUPAC name of 1-(1-bromo-2,2,2-trifluoroethyl)-4-chlorobenzene (CID 11161644) is 1-(1-bromo-2,2,2-trifluoroethyl)-4-chlorobenzene.
What is the SMILES notation for 1-(1-bromo-2,2,2-trifluoroethyl)-4-chlorobenzene?
The canonical SMILES for 1-(1-bromo-2,2,2-trifluoroethyl)-4-chlorobenzene is FC(F)(F)C(Br)c1ccc(Cl)cc1.
What is the InChIKey of 1-(1-bromo-2,2,2-trifluoroethyl)-4-chlorobenzene?
The InChIKey is ITNDUQJYMQWYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClF3/c9-7(8(11,12)13)5-1-3-6(10)4-2-5/h1-4,7H.
What are the key properties of 1-(1-bromo-2,2,2-trifluoroethyl)-4-chlorobenzene?
1-(1-bromo-2,2,2-trifluoroethyl)-4-chlorobenzene has a molecular weight of 273.48 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromo-2,2,2-trifluoroethyl)-4-chlorobenzene is sourced from PubChem (CID 11161644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).