2-bromo-4-chloro-1-(2,2,2-trifluoroethyl)benzene

C8H5BrClF3 — CID 91883101

IUPAC2-bromo-4-chloro-1-(2,2,2-trifluoroethyl)benzene
SMILESFC(F)(F)Cc1ccc(Cl)cc1Br
InChIInChI=1S/C8H5BrClF3/c9-7-3-6(10)2-1-5(7)4-8(11,12)13/h1-3H,4H2
InChIKeyZLSYNWJPMGANMM-UHFFFAOYSA-N
MW273.48 g/mol
LogP4.21
Rot. Bonds1

About 2-bromo-4-chloro-1-(2,2,2-trifluoroethyl)benzene

2-bromo-4-chloro-1-(2,2,2-trifluoroethyl)benzene (PubChem CID 91883101) has the molecular formula C8H5BrClF3 and a molecular weight of 273.48 g/mol. Its IUPAC name is 2-bromo-4-chloro-1-(2,2,2-trifluoroethyl)benzene.

Molecular Properties

Compound Name2-bromo-4-chloro-1-(2,2,2-trifluoroethyl)benzene
PubChem CID91883101
Molecular FormulaC8H5BrClF3
Molecular Weight273.48 g/mol
Exact Mass271.92
IUPAC Name2-bromo-4-chloro-1-(2,2,2-trifluoroethyl)benzene
SMILESFC(F)(F)Cc1ccc(Cl)cc1Br
InChIInChI=1S/C8H5BrClF3/c9-7-3-6(10)2-1-5(7)4-8(11,12)13/h1-3H,4H2
InChIKeyZLSYNWJPMGANMM-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-1-(2,2,2-trifluoroethyl)benzene?
The IUPAC name of 2-bromo-4-chloro-1-(2,2,2-trifluoroethyl)benzene (CID 91883101) is 2-bromo-4-chloro-1-(2,2,2-trifluoroethyl)benzene.
What is the SMILES notation for 2-bromo-4-chloro-1-(2,2,2-trifluoroethyl)benzene?
The canonical SMILES for 2-bromo-4-chloro-1-(2,2,2-trifluoroethyl)benzene is FC(F)(F)Cc1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-1-(2,2,2-trifluoroethyl)benzene?
The InChIKey is ZLSYNWJPMGANMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClF3/c9-7-3-6(10)2-1-5(7)4-8(11,12)13/h1-3H,4H2.
What are the key properties of 2-bromo-4-chloro-1-(2,2,2-trifluoroethyl)benzene?
2-bromo-4-chloro-1-(2,2,2-trifluoroethyl)benzene has a molecular weight of 273.48 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-1-(2,2,2-trifluoroethyl)benzene is sourced from PubChem (CID 91883101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).