4-bromo-1-methyl-2-(trifluoromethyl)benzene

C8H6BrF3 — CID 2775635

IUPAC4-bromo-1-methyl-2-(trifluoromethyl)benzene
SMILESCc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C8H6BrF3/c1-5-2-3-6(9)4-7(5)8(10,11)12/h2-4H,1H3
InChIKeyIZFVIEYHUOUPPH-UHFFFAOYSA-N
MW239.03 g/mol
LogP3.78
Rot. Bonds

About 4-bromo-1-methyl-2-(trifluoromethyl)benzene

4-bromo-1-methyl-2-(trifluoromethyl)benzene (PubChem CID 2775635) has the molecular formula C8H6BrF3 and a molecular weight of 239.03 g/mol. Its IUPAC name is 4-bromo-1-methyl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-bromo-1-methyl-2-(trifluoromethyl)benzene
PubChem CID2775635
Molecular FormulaC8H6BrF3
Molecular Weight239.03 g/mol
Exact Mass237.96
IUPAC Name4-bromo-1-methyl-2-(trifluoromethyl)benzene
SMILESCc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C8H6BrF3/c1-5-2-3-6(9)4-7(5)8(10,11)12/h2-4H,1H3
InChIKeyIZFVIEYHUOUPPH-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.03
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-2-(trifluoromethyl)benzene?
The IUPAC name of 4-bromo-1-methyl-2-(trifluoromethyl)benzene (CID 2775635) is 4-bromo-1-methyl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 4-bromo-1-methyl-2-(trifluoromethyl)benzene?
The canonical SMILES for 4-bromo-1-methyl-2-(trifluoromethyl)benzene is Cc1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 4-bromo-1-methyl-2-(trifluoromethyl)benzene?
The InChIKey is IZFVIEYHUOUPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF3/c1-5-2-3-6(9)4-7(5)8(10,11)12/h2-4H,1H3.
What are the key properties of 4-bromo-1-methyl-2-(trifluoromethyl)benzene?
4-bromo-1-methyl-2-(trifluoromethyl)benzene has a molecular weight of 239.03 g/mol, XLogP of 3.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 2775635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).