2-[bromo-[2-(trifluoromethyl)phenyl]methyl]-1,4-dichlorobenzene

C14H8BrCl2F3 — CID 63444855

IUPAC2-[bromo-[2-(trifluoromethyl)phenyl]methyl]-1,4-dichlorobenzene
SMILESFC(F)(F)c1ccccc1C(Br)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H8BrCl2F3/c15-13(10-7-8(16)5-6-12(10)17)9-3-1-2-4-11(9)14(18,19)20/h1-7,13H
InChIKeyZIOSVYLWHWODIM-UHFFFAOYSA-N
MW384.02 g/mol
LogP6.50
Rot. Bonds2

About 2-[bromo-[2-(trifluoromethyl)phenyl]methyl]-1,4-dichlorobenzene

2-[bromo-[2-(trifluoromethyl)phenyl]methyl]-1,4-dichlorobenzene (PubChem CID 63444855) has the molecular formula C14H8BrCl2F3 and a molecular weight of 384.02 g/mol. Its IUPAC name is 2-[bromo-[2-(trifluoromethyl)phenyl]methyl]-1,4-dichlorobenzene.

Molecular Properties

Compound Name2-[bromo-[2-(trifluoromethyl)phenyl]methyl]-1,4-dichlorobenzene
PubChem CID63444855
Molecular FormulaC14H8BrCl2F3
Molecular Weight384.02 g/mol
Exact Mass381.91
IUPAC Name2-[bromo-[2-(trifluoromethyl)phenyl]methyl]-1,4-dichlorobenzene
SMILESFC(F)(F)c1ccccc1C(Br)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H8BrCl2F3/c15-13(10-7-8(16)5-6-12(10)17)9-3-1-2-4-11(9)14(18,19)20/h1-7,13H
InChIKeyZIOSVYLWHWODIM-UHFFFAOYSA-N
XLogP6.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.02
LogP ≤ 56.50
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

1,4-dichloro-2-[chloro-[2-(trifluoromethyl)phenyl]methyl]benzene
CID 63436291
2-[bromo-(2-chlorophenyl)methyl]-1,4-dichlorobenzene
CID 55198018
2,4-dichloro-1-[chloro-[2-(trifluoromethyl)phenyl]methyl]benzene
CID 63443981
1-[bromo-[2-(trifluoromethyl)phenyl]methyl]-2-chloro-4-methoxybenzene
CID 63443367
(5-bromo-2-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 115796079
N-[1-(2,5-dichlorophenyl)ethyl]-2-(trifluoromethyl)aniline
CID 43103861
2-[bromo-(4-bromo-2-chlorophenyl)methyl]-1,4-dichlorobenzene
CID 63445029
1-(5-chloro-2-fluorophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 114886168
[(2-bromo-4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 107997016
1-[bromo-(2,5-dichlorophenyl)methyl]-4-fluoro-2-methylbenzene
CID 113400098
1-[bromo-(2,5-dichlorophenyl)methyl]-2,3-dimethylbenzene
CID 63444898
[(4-chloro-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105217891

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-[2-(trifluoromethyl)phenyl]methyl]-1,4-dichlorobenzene?
The IUPAC name of 2-[bromo-[2-(trifluoromethyl)phenyl]methyl]-1,4-dichlorobenzene (CID 63444855) is 2-[bromo-[2-(trifluoromethyl)phenyl]methyl]-1,4-dichlorobenzene.
What is the SMILES notation for 2-[bromo-[2-(trifluoromethyl)phenyl]methyl]-1,4-dichlorobenzene?
The canonical SMILES for 2-[bromo-[2-(trifluoromethyl)phenyl]methyl]-1,4-dichlorobenzene is FC(F)(F)c1ccccc1C(Br)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[bromo-[2-(trifluoromethyl)phenyl]methyl]-1,4-dichlorobenzene?
The InChIKey is ZIOSVYLWHWODIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrCl2F3/c15-13(10-7-8(16)5-6-12(10)17)9-3-1-2-4-11(9)14(18,19)20/h1-7,13H.
What are the key properties of 2-[bromo-[2-(trifluoromethyl)phenyl]methyl]-1,4-dichlorobenzene?
2-[bromo-[2-(trifluoromethyl)phenyl]methyl]-1,4-dichlorobenzene has a molecular weight of 384.02 g/mol, XLogP of 6.50, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-[2-(trifluoromethyl)phenyl]methyl]-1,4-dichlorobenzene is sourced from PubChem (CID 63444855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).