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

C7H3BrF4 — CID 2736325

IUPAC4-bromo-1-fluoro-2-(trifluoromethyl)benzene
SMILESFc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C7H3BrF4/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3H
InChIKeyAJLIJYGWAXPEOK-UHFFFAOYSA-N
MW243.00 g/mol
LogP3.61
Rot. Bonds

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

4-bromo-1-fluoro-2-(trifluoromethyl)benzene (PubChem CID 2736325) has the molecular formula C7H3BrF4 and a molecular weight of 243.00 g/mol. Its IUPAC name is 4-bromo-1-fluoro-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-bromo-1-fluoro-2-(trifluoromethyl)benzene
PubChem CID2736325
Molecular FormulaC7H3BrF4
Molecular Weight243.00 g/mol
Exact Mass241.94
IUPAC Name4-bromo-1-fluoro-2-(trifluoromethyl)benzene
SMILESFc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C7H3BrF4/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3H
InChIKeyAJLIJYGWAXPEOK-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.00
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-fluoro-2-(trifluoromethyl)benzene?
The IUPAC name of 4-bromo-1-fluoro-2-(trifluoromethyl)benzene (CID 2736325) is 4-bromo-1-fluoro-2-(trifluoromethyl)benzene.
What is the SMILES notation for 4-bromo-1-fluoro-2-(trifluoromethyl)benzene?
The canonical SMILES for 4-bromo-1-fluoro-2-(trifluoromethyl)benzene is Fc1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 4-bromo-1-fluoro-2-(trifluoromethyl)benzene?
The InChIKey is AJLIJYGWAXPEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF4/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3H.
What are the key properties of 4-bromo-1-fluoro-2-(trifluoromethyl)benzene?
4-bromo-1-fluoro-2-(trifluoromethyl)benzene has a molecular weight of 243.00 g/mol, XLogP of 3.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-fluoro-2-(trifluoromethyl)benzene is sourced from PubChem (CID 2736325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).