1-(bromomethyl)-4,5-dichloro-2-(trifluoromethyl)benzene

C8H4BrCl2F3 — CID 171015138

IUPAC1-(bromomethyl)-4,5-dichloro-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(Cl)c(Cl)cc1CBr
InChIInChI=1S/C8H4BrCl2F3/c9-3-4-1-6(10)7(11)2-5(4)8(12,13)14/h1-2H,3H2
InChIKeyKGYFFJJUMYDWBS-UHFFFAOYSA-N
MW307.92 g/mol
LogP4.91
Rot. Bonds1

About 1-(bromomethyl)-4,5-dichloro-2-(trifluoromethyl)benzene

1-(bromomethyl)-4,5-dichloro-2-(trifluoromethyl)benzene (PubChem CID 171015138) has the molecular formula C8H4BrCl2F3 and a molecular weight of 307.92 g/mol. Its IUPAC name is 1-(bromomethyl)-4,5-dichloro-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(bromomethyl)-4,5-dichloro-2-(trifluoromethyl)benzene
PubChem CID171015138
Molecular FormulaC8H4BrCl2F3
Molecular Weight307.92 g/mol
Exact Mass305.88
IUPAC Name1-(bromomethyl)-4,5-dichloro-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(Cl)c(Cl)cc1CBr
InChIInChI=1S/C8H4BrCl2F3/c9-3-4-1-6(10)7(11)2-5(4)8(12,13)14/h1-2H,3H2
InChIKeyKGYFFJJUMYDWBS-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.92
LogP ≤ 54.91
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-[3-(bromomethyl)-4-(trifluoromethyl)phenyl]-2,4,5-trichlorobenzene
CID 134625583
1-bromo-5-(bromomethyl)-2-methyl-4-(trifluoromethyl)benzene
CID 171009269
4-(bromomethyl)-2,5-bis(trifluoromethyl)benzaldehyde
CID 134618140
4-(bromomethyl)-2,5-bis(trifluoromethyl)benzonitrile
CID 134618135
4-(bromomethyl)-2-chloro-1-(trifluoromethyl)benzene
CID 23512765
[4-(bromomethyl)-3-(trifluoromethyl)phenyl]azanium
CID 145201928
5-(bromomethyl)-2-chloro-1,3-bis(trifluoromethyl)benzene
CID 134623558
1-[4-(bromomethyl)-3-(trifluoromethyl)phenyl]-4-chloropyrazole
CID 107085833
2-chloro-4-(chloromethyl)-5-(trifluoromethyl)aniline
CID 131011851
1-(bromomethyl)-2-methyl-4,5-bis(trifluoromethyl)benzene
CID 135743210
1-(bromomethyl)-2,4-difluoro-5-(trifluoromethyl)benzene
CID 122237187
2-(bromomethyl)-4,5-bis(trifluoromethyl)phenol
CID 118851209

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-4,5-dichloro-2-(trifluoromethyl)benzene?
The IUPAC name of 1-(bromomethyl)-4,5-dichloro-2-(trifluoromethyl)benzene (CID 171015138) is 1-(bromomethyl)-4,5-dichloro-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(bromomethyl)-4,5-dichloro-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-(bromomethyl)-4,5-dichloro-2-(trifluoromethyl)benzene is FC(F)(F)c1cc(Cl)c(Cl)cc1CBr.
What is the InChIKey of 1-(bromomethyl)-4,5-dichloro-2-(trifluoromethyl)benzene?
The InChIKey is KGYFFJJUMYDWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrCl2F3/c9-3-4-1-6(10)7(11)2-5(4)8(12,13)14/h1-2H,3H2.
What are the key properties of 1-(bromomethyl)-4,5-dichloro-2-(trifluoromethyl)benzene?
1-(bromomethyl)-4,5-dichloro-2-(trifluoromethyl)benzene has a molecular weight of 307.92 g/mol, XLogP of 4.91, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-4,5-dichloro-2-(trifluoromethyl)benzene is sourced from PubChem (CID 171015138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).