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

C8H4BrClF4 — CID 131431180

IUPAC1-(bromomethyl)-5-chloro-2-fluoro-3-(trifluoromethyl)benzene
SMILESFc1c(CBr)cc(Cl)cc1C(F)(F)F
InChIInChI=1S/C8H4BrClF4/c9-3-4-1-5(10)2-6(7(4)11)8(12,13)14/h1-2H,3H2
InChIKeyWDCWWDYJUDDJCM-UHFFFAOYSA-N
MW291.47 g/mol
LogP4.39
Rot. Bonds1

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

1-(bromomethyl)-5-chloro-2-fluoro-3-(trifluoromethyl)benzene (PubChem CID 131431180) has the molecular formula C8H4BrClF4 and a molecular weight of 291.47 g/mol. Its IUPAC name is 1-(bromomethyl)-5-chloro-2-fluoro-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(bromomethyl)-5-chloro-2-fluoro-3-(trifluoromethyl)benzene
PubChem CID131431180
Molecular FormulaC8H4BrClF4
Molecular Weight291.47 g/mol
Exact Mass289.91
IUPAC Name1-(bromomethyl)-5-chloro-2-fluoro-3-(trifluoromethyl)benzene
SMILESFc1c(CBr)cc(Cl)cc1C(F)(F)F
InChIInChI=1S/C8H4BrClF4/c9-3-4-1-5(10)2-6(7(4)11)8(12,13)14/h1-2H,3H2
InChIKeyWDCWWDYJUDDJCM-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.47
LogP ≤ 54.39
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-(Bromomethyl)-3-chlorobenzene
CID 69838
Benzene, 1-chloro-2,3-difluoro-5-(trifluoromethyl)-
CID 2736496
1-(Bromomethyl)-3-chloro-2-fluorobenzene
CID 522827
1-(Bromomethyl)-3-fluoro-5-(trifluoromethyl)benzene
CID 2737575
4-Chloro-3-(trifluoromethyl)benzyl bromide
CID 2778114
4-Chloro-2-(trifluoromethyl)benzyl bromide
CID 3492597
3-Chloro-5-fluorobenzyl Bromide
CID 2734834
2-(Bromomethyl)-1-chloro-4-(trifluoromethyl)benzene
CID 2736685
4-(Bromomethyl)-2-chloro-1-fluorobenzene
CID 2757542
1-(Bromomethyl)-2-chloro-3-(trifluoromethyl)benzene
CID 2778848
1-(Bromomethyl)-2-chloro-4,5-difluorobenzene
CID 17750747
3,5-Bis(trifluoromethyl)chlorobenzene
CID 2769405

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-5-chloro-2-fluoro-3-(trifluoromethyl)benzene?
The IUPAC name of 1-(bromomethyl)-5-chloro-2-fluoro-3-(trifluoromethyl)benzene (CID 131431180) is 1-(bromomethyl)-5-chloro-2-fluoro-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(bromomethyl)-5-chloro-2-fluoro-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-(bromomethyl)-5-chloro-2-fluoro-3-(trifluoromethyl)benzene is Fc1c(CBr)cc(Cl)cc1C(F)(F)F.
What is the InChIKey of 1-(bromomethyl)-5-chloro-2-fluoro-3-(trifluoromethyl)benzene?
The InChIKey is WDCWWDYJUDDJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClF4/c9-3-4-1-5(10)2-6(7(4)11)8(12,13)14/h1-2H,3H2.
What are the key properties of 1-(bromomethyl)-5-chloro-2-fluoro-3-(trifluoromethyl)benzene?
1-(bromomethyl)-5-chloro-2-fluoro-3-(trifluoromethyl)benzene has a molecular weight of 291.47 g/mol, XLogP of 4.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-5-chloro-2-fluoro-3-(trifluoromethyl)benzene is sourced from PubChem (CID 131431180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).