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

C8H6BrF3 — CID 10082944

IUPAC1-bromo-4-(2,2,2-trifluoroethyl)benzene
SMILESFC(F)(F)Cc1ccc(Br)cc1
InChIInChI=1S/C8H6BrF3/c9-7-3-1-6(2-4-7)5-8(10,11)12/h1-4H,5H2
InChIKeySYERREWLUUWURN-UHFFFAOYSA-N
MW239.03 g/mol
LogP3.55
Rot. Bonds1

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

1-bromo-4-(2,2,2-trifluoroethyl)benzene (PubChem CID 10082944) has the molecular formula C8H6BrF3 and a molecular weight of 239.03 g/mol. Its IUPAC name is 1-bromo-4-(2,2,2-trifluoroethyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(2,2,2-trifluoroethyl)benzene
PubChem CID10082944
Molecular FormulaC8H6BrF3
Molecular Weight239.03 g/mol
Exact Mass237.96
IUPAC Name1-bromo-4-(2,2,2-trifluoroethyl)benzene
SMILESFC(F)(F)Cc1ccc(Br)cc1
InChIInChI=1S/C8H6BrF3/c9-7-3-1-6(2-4-7)5-8(10,11)12/h1-4H,5H2
InChIKeySYERREWLUUWURN-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(2,2,2-trifluoroethyl)benzene?
The IUPAC name of 1-bromo-4-(2,2,2-trifluoroethyl)benzene (CID 10082944) is 1-bromo-4-(2,2,2-trifluoroethyl)benzene.
What is the SMILES notation for 1-bromo-4-(2,2,2-trifluoroethyl)benzene?
The canonical SMILES for 1-bromo-4-(2,2,2-trifluoroethyl)benzene is FC(F)(F)Cc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-(2,2,2-trifluoroethyl)benzene?
The InChIKey is SYERREWLUUWURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF3/c9-7-3-1-6(2-4-7)5-8(10,11)12/h1-4H,5H2.
What are the key properties of 1-bromo-4-(2,2,2-trifluoroethyl)benzene?
1-bromo-4-(2,2,2-trifluoroethyl)benzene has a molecular weight of 239.03 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(2,2,2-trifluoroethyl)benzene is sourced from PubChem (CID 10082944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).