5-bromo-1-(bromomethyl)-2-fluoro-3-(trifluoromethyl)benzene

C8H4Br2F4 — CID 131533788

IUPAC5-bromo-1-(bromomethyl)-2-fluoro-3-(trifluoromethyl)benzene
SMILESFc1c(CBr)cc(Br)cc1C(F)(F)F
InChIInChI=1S/C8H4Br2F4/c9-3-4-1-5(10)2-6(7(4)11)8(12,13)14/h1-2H,3H2
InChIKeyZKIHZKBZVXLUKA-UHFFFAOYSA-N
MW335.92 g/mol
LogP4.50
Rot. Bonds1

About 5-bromo-1-(bromomethyl)-2-fluoro-3-(trifluoromethyl)benzene

5-bromo-1-(bromomethyl)-2-fluoro-3-(trifluoromethyl)benzene (PubChem CID 131533788) has the molecular formula C8H4Br2F4 and a molecular weight of 335.92 g/mol. Its IUPAC name is 5-bromo-1-(bromomethyl)-2-fluoro-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name5-bromo-1-(bromomethyl)-2-fluoro-3-(trifluoromethyl)benzene
PubChem CID131533788
Molecular FormulaC8H4Br2F4
Molecular Weight335.92 g/mol
Exact Mass333.86
IUPAC Name5-bromo-1-(bromomethyl)-2-fluoro-3-(trifluoromethyl)benzene
SMILESFc1c(CBr)cc(Br)cc1C(F)(F)F
InChIInChI=1S/C8H4Br2F4/c9-3-4-1-5(10)2-6(7(4)11)8(12,13)14/h1-2H,3H2
InChIKeyZKIHZKBZVXLUKA-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.92
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-1-(chloromethyl)-2-fluoro-3-(trifluoromethyl)benzene
CID 131533779
5-bromo-1-(bromomethyl)-2-methoxy-3-(trifluoromethyl)benzene
CID 130153862
5-bromo-2-fluoro-3-(trifluoromethyl)phenol
CID 125116389
5-bromo-1-chloro-2-fluoro-3-(trifluoromethyl)benzene
CID 45358382
3-bromo-1-(bromomethyl)-2-fluoro-4-(trifluoromethyl)benzene
CID 171007707
1-(bromomethyl)-2,4-difluoro-5-(trifluoromethyl)benzene
CID 122237187
2-(bromomethyl)-4,5-bis(trifluoromethyl)phenol
CID 118851209
5-bromo-2-fluoro-3-(trifluoromethyl)benzaldehyde
CID 54758728
5-bromo-1-(diethoxymethyl)-2-fluoro-3-(trifluoromethyl)benzene
CID 171366221
3-[5-bromo-3-(bromomethyl)-2-fluorophenyl]propanenitrile
CID 130140680
5-bromo-2-fluoro-1-nitro-3-(trifluoromethyl)benzene
CID 21091423
5-bromo-1-(bromomethyl)-3-methoxy-2-(trifluoromethyl)benzene
CID 171004035

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(bromomethyl)-2-fluoro-3-(trifluoromethyl)benzene?
The IUPAC name of 5-bromo-1-(bromomethyl)-2-fluoro-3-(trifluoromethyl)benzene (CID 131533788) is 5-bromo-1-(bromomethyl)-2-fluoro-3-(trifluoromethyl)benzene.
What is the SMILES notation for 5-bromo-1-(bromomethyl)-2-fluoro-3-(trifluoromethyl)benzene?
The canonical SMILES for 5-bromo-1-(bromomethyl)-2-fluoro-3-(trifluoromethyl)benzene is Fc1c(CBr)cc(Br)cc1C(F)(F)F.
What is the InChIKey of 5-bromo-1-(bromomethyl)-2-fluoro-3-(trifluoromethyl)benzene?
The InChIKey is ZKIHZKBZVXLUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2F4/c9-3-4-1-5(10)2-6(7(4)11)8(12,13)14/h1-2H,3H2.
What are the key properties of 5-bromo-1-(bromomethyl)-2-fluoro-3-(trifluoromethyl)benzene?
5-bromo-1-(bromomethyl)-2-fluoro-3-(trifluoromethyl)benzene has a molecular weight of 335.92 g/mol, XLogP of 4.50, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(bromomethyl)-2-fluoro-3-(trifluoromethyl)benzene is sourced from PubChem (CID 131533788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).