1-bromo-3-(trifluoromethyl)benzene

C7H4BrF3 — CID 9817

IUPAC1-bromo-3-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cccc(Br)c1
InChIInChI=1S/C7H4BrF3/c8-6-3-1-2-5(4-6)7(9,10)11/h1-4H
InChIKeyNNMBNYHMJRJUBC-UHFFFAOYSA-N
MW225.01 g/mol
LogP3.47
Rot. Bonds

About 1-bromo-3-(trifluoromethyl)benzene

1-bromo-3-(trifluoromethyl)benzene (PubChem CID 9817) has the molecular formula C7H4BrF3 and a molecular weight of 225.01 g/mol. Its IUPAC name is 1-bromo-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-bromo-3-(trifluoromethyl)benzene
PubChem CID9817
Molecular FormulaC7H4BrF3
Molecular Weight225.01 g/mol
Exact Mass223.94
IUPAC Name1-bromo-3-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cccc(Br)c1
InChIInChI=1S/C7H4BrF3/c8-6-3-1-2-5(4-6)7(9,10)11/h1-4H
InChIKeyNNMBNYHMJRJUBC-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.01
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(trifluoromethyl)benzene?
The IUPAC name of 1-bromo-3-(trifluoromethyl)benzene (CID 9817) is 1-bromo-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-bromo-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-bromo-3-(trifluoromethyl)benzene is FC(F)(F)c1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-(trifluoromethyl)benzene?
The InChIKey is NNMBNYHMJRJUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF3/c8-6-3-1-2-5(4-6)7(9,10)11/h1-4H.
What are the key properties of 1-bromo-3-(trifluoromethyl)benzene?
1-bromo-3-(trifluoromethyl)benzene has a molecular weight of 225.01 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(trifluoromethyl)benzene is sourced from PubChem (CID 9817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).