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

C8H6BrF3 — CID 14438709

IUPAC(1-bromo-2,2,2-trifluoroethyl)benzene
SMILESFC(F)(F)C(Br)c1ccccc1
InChIInChI=1S/C8H6BrF3/c9-7(8(10,11)12)6-4-2-1-3-5-6/h1-5,7H
InChIKeyIRICHAOGAOFEQI-UHFFFAOYSA-N
MW239.03 g/mol
LogP3.68
Rot. Bonds1

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

(1-bromo-2,2,2-trifluoroethyl)benzene (PubChem CID 14438709) has the molecular formula C8H6BrF3 and a molecular weight of 239.03 g/mol. Its IUPAC name is (1-bromo-2,2,2-trifluoroethyl)benzene.

Molecular Properties

Compound Name(1-bromo-2,2,2-trifluoroethyl)benzene
PubChem CID14438709
Molecular FormulaC8H6BrF3
Molecular Weight239.03 g/mol
Exact Mass237.96
IUPAC Name(1-bromo-2,2,2-trifluoroethyl)benzene
SMILESFC(F)(F)C(Br)c1ccccc1
InChIInChI=1S/C8H6BrF3/c9-7(8(10,11)12)6-4-2-1-3-5-6/h1-5,7H
InChIKeyIRICHAOGAOFEQI-UHFFFAOYSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.03
LogP ≤ 53.68
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-bromo-2,2,2-trifluoroethyl)benzene?
The IUPAC name of (1-bromo-2,2,2-trifluoroethyl)benzene (CID 14438709) is (1-bromo-2,2,2-trifluoroethyl)benzene.
What is the SMILES notation for (1-bromo-2,2,2-trifluoroethyl)benzene?
The canonical SMILES for (1-bromo-2,2,2-trifluoroethyl)benzene is FC(F)(F)C(Br)c1ccccc1.
What is the InChIKey of (1-bromo-2,2,2-trifluoroethyl)benzene?
The InChIKey is IRICHAOGAOFEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF3/c9-7(8(10,11)12)6-4-2-1-3-5-6/h1-5,7H.
What are the key properties of (1-bromo-2,2,2-trifluoroethyl)benzene?
(1-bromo-2,2,2-trifluoroethyl)benzene has a molecular weight of 239.03 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromo-2,2,2-trifluoroethyl)benzene is sourced from PubChem (CID 14438709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).