1,5-dibromo-2-(chloromethyl)-3-(trifluoromethyl)benzene

C8H4Br2ClF3 — CID 171005765

IUPAC1,5-dibromo-2-(chloromethyl)-3-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(Br)cc(Br)c1CCl
InChIInChI=1S/C8H4Br2ClF3/c9-4-1-6(8(12,13)14)5(3-11)7(10)2-4/h1-2H,3H2
InChIKeyPWCQRDWAJQGUJH-UHFFFAOYSA-N
MW352.38 g/mol
LogP4.97
Rot. Bonds1

About 1,5-dibromo-2-(chloromethyl)-3-(trifluoromethyl)benzene

1,5-dibromo-2-(chloromethyl)-3-(trifluoromethyl)benzene (PubChem CID 171005765) has the molecular formula C8H4Br2ClF3 and a molecular weight of 352.38 g/mol. Its IUPAC name is 1,5-dibromo-2-(chloromethyl)-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,5-dibromo-2-(chloromethyl)-3-(trifluoromethyl)benzene
PubChem CID171005765
Molecular FormulaC8H4Br2ClF3
Molecular Weight352.38 g/mol
Exact Mass349.83
IUPAC Name1,5-dibromo-2-(chloromethyl)-3-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(Br)cc(Br)c1CCl
InChIInChI=1S/C8H4Br2ClF3/c9-4-1-6(8(12,13)14)5(3-11)7(10)2-4/h1-2H,3H2
InChIKeyPWCQRDWAJQGUJH-UHFFFAOYSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 54.97
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

1-bromo-2-(chloromethyl)-5-fluoro-3-(trifluoromethyl)benzene
CID 131533801
5-bromo-1-(chloromethyl)-2-fluoro-3-(trifluoromethyl)benzene
CID 131533779
1,5-dibromo-3-chloro-2-(chloromethyl)benzene
CID 171009724
1-bromo-2-(chloromethyl)-3-fluoro-4-(trifluoromethyl)benzene
CID 130758378
2-bromo-3-(chloromethyl)-1-fluoro-4-(trifluoromethyl)benzene
CID 131533803
1-bromo-5-chloro-2-(chloromethyl)-3-fluorobenzene
CID 131587303
5-bromo-1-chloro-2-fluoro-3-(trifluoromethyl)benzene
CID 45358382
4-bromo-3-(chloromethyl)-2-(trifluoromethyl)aniline
CID 131070740
4-bromo-2-(chloromethyl)-3-(trifluoromethyl)aniline
CID 130776372
4-bromo-2,6-bis(trifluoromethyl)benzoyl chloride
CID 134618372
1-[2,4-dibromo-6-(trifluoromethyl)phenyl]pyrrolidine
CID 168511656
5-bromo-1-(bromomethyl)-2-fluoro-3-(trifluoromethyl)benzene
CID 131533788

Frequently Asked Questions

What is the IUPAC name of 1,5-dibromo-2-(chloromethyl)-3-(trifluoromethyl)benzene?
The IUPAC name of 1,5-dibromo-2-(chloromethyl)-3-(trifluoromethyl)benzene (CID 171005765) is 1,5-dibromo-2-(chloromethyl)-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1,5-dibromo-2-(chloromethyl)-3-(trifluoromethyl)benzene?
The canonical SMILES for 1,5-dibromo-2-(chloromethyl)-3-(trifluoromethyl)benzene is FC(F)(F)c1cc(Br)cc(Br)c1CCl.
What is the InChIKey of 1,5-dibromo-2-(chloromethyl)-3-(trifluoromethyl)benzene?
The InChIKey is PWCQRDWAJQGUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2ClF3/c9-4-1-6(8(12,13)14)5(3-11)7(10)2-4/h1-2H,3H2.
What are the key properties of 1,5-dibromo-2-(chloromethyl)-3-(trifluoromethyl)benzene?
1,5-dibromo-2-(chloromethyl)-3-(trifluoromethyl)benzene has a molecular weight of 352.38 g/mol, XLogP of 4.97, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibromo-2-(chloromethyl)-3-(trifluoromethyl)benzene is sourced from PubChem (CID 171005765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).