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

C8H6BrF3 — CID 90359011

IUPAC1-bromo-4-(1,1,2-trifluoroethyl)benzene
SMILESFCC(F)(F)c1ccc(Br)cc1
InChIInChI=1S/C8H6BrF3/c9-7-3-1-6(2-4-7)8(11,12)5-10/h1-4H,5H2
InChIKeyDGZWQEPASQUVJJ-UHFFFAOYSA-N
MW239.03 g/mol
LogP3.51
Rot. Bonds2

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

1-bromo-4-(1,1,2-trifluoroethyl)benzene (PubChem CID 90359011) has the molecular formula C8H6BrF3 and a molecular weight of 239.03 g/mol. Its IUPAC name is 1-bromo-4-(1,1,2-trifluoroethyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(1,1,2-trifluoroethyl)benzene
PubChem CID90359011
Molecular FormulaC8H6BrF3
Molecular Weight239.03 g/mol
Exact Mass237.96
IUPAC Name1-bromo-4-(1,1,2-trifluoroethyl)benzene
SMILESFCC(F)(F)c1ccc(Br)cc1
InChIInChI=1S/C8H6BrF3/c9-7-3-1-6(2-4-7)8(11,12)5-10/h1-4H,5H2
InChIKeyDGZWQEPASQUVJJ-UHFFFAOYSA-N
XLogP3.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.03
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(1,1,2-trifluoroethyl)benzene?
The IUPAC name of 1-bromo-4-(1,1,2-trifluoroethyl)benzene (CID 90359011) is 1-bromo-4-(1,1,2-trifluoroethyl)benzene.
What is the SMILES notation for 1-bromo-4-(1,1,2-trifluoroethyl)benzene?
The canonical SMILES for 1-bromo-4-(1,1,2-trifluoroethyl)benzene is FCC(F)(F)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-(1,1,2-trifluoroethyl)benzene?
The InChIKey is DGZWQEPASQUVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF3/c9-7-3-1-6(2-4-7)8(11,12)5-10/h1-4H,5H2.
What are the key properties of 1-bromo-4-(1,1,2-trifluoroethyl)benzene?
1-bromo-4-(1,1,2-trifluoroethyl)benzene has a molecular weight of 239.03 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(1,1,2-trifluoroethyl)benzene is sourced from PubChem (CID 90359011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).