bromo(trifluoro)methane;toluene

C8H8BrF3 — CID 162166956

IUPACbromo(trifluoro)methane;toluene
SMILESCc1ccccc1.FC(F)(F)Br
InChIInChI=1S/C7H8.CBrF3/c1-7-5-3-2-4-6-7;2-1(3,4)5/h2-6H,1H3;
InChIKeyZNGKONKYRKRIRB-UHFFFAOYSA-N
MW241.05 g/mol
LogP3.90
Rot. Bonds

About bromo(trifluoro)methane;toluene

bromo(trifluoro)methane;toluene (PubChem CID 162166956) has the molecular formula C8H8BrF3 and a molecular weight of 241.05 g/mol. Its IUPAC name is bromo(trifluoro)methane;toluene.

Molecular Properties

Compound Namebromo(trifluoro)methane;toluene
PubChem CID162166956
Molecular FormulaC8H8BrF3
Molecular Weight241.05 g/mol
Exact Mass239.98
IUPAC Namebromo(trifluoro)methane;toluene
SMILESCc1ccccc1.FC(F)(F)Br
InChIInChI=1S/C7H8.CBrF3/c1-7-5-3-2-4-6-7;2-1(3,4)5/h2-6H,1H3;
InChIKeyZNGKONKYRKRIRB-UHFFFAOYSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.05
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze bromo(trifluoro)methane;toluene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

chloromethane;toluene
CID 178022822
benzene;toluene
CID 158487474
methylcyclotriacontapentadecaene
CID 101240530
titanium(2+);toluene
CID 22023820
bromomethane;ethane;toluene
CID 162174228
chloromethane;toluene;dihydrochloride
CID 174689155
thiohypofluorous acid;toluene
CID 87601176
bismuthane;toluene
CID 173370039
aluminum toluene
CID 21283935
gold;toluene
CID 159315944
toluene;tetrahydrochloride
CID 174345064
toluene;hydrate
CID 22272177

Frequently Asked Questions

What is the IUPAC name of bromo(trifluoro)methane;toluene?
The IUPAC name of bromo(trifluoro)methane;toluene (CID 162166956) is bromo(trifluoro)methane;toluene.
What is the SMILES notation for bromo(trifluoro)methane;toluene?
The canonical SMILES for bromo(trifluoro)methane;toluene is Cc1ccccc1.FC(F)(F)Br.
What is the InChIKey of bromo(trifluoro)methane;toluene?
The InChIKey is ZNGKONKYRKRIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.CBrF3/c1-7-5-3-2-4-6-7;2-1(3,4)5/h2-6H,1H3;.
What are the key properties of bromo(trifluoro)methane;toluene?
bromo(trifluoro)methane;toluene has a molecular weight of 241.05 g/mol, XLogP of 3.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo(trifluoro)methane;toluene is sourced from PubChem (CID 162166956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).