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

C14H8BrCl2F3 — CID 63444663

IUPAC4-[bromo-[2-(trifluoromethyl)phenyl]methyl]-1,2-dichlorobenzene
SMILESFC(F)(F)c1ccccc1C(Br)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H8BrCl2F3/c15-13(8-5-6-11(16)12(17)7-8)9-3-1-2-4-10(9)14(18,19)20/h1-7,13H
InChIKeyCRPLAWUUDUCJDV-UHFFFAOYSA-N
MW384.02 g/mol
LogP6.50
Rot. Bonds2

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

4-[bromo-[2-(trifluoromethyl)phenyl]methyl]-1,2-dichlorobenzene (PubChem CID 63444663) has the molecular formula C14H8BrCl2F3 and a molecular weight of 384.02 g/mol. Its IUPAC name is 4-[bromo-[2-(trifluoromethyl)phenyl]methyl]-1,2-dichlorobenzene.

Molecular Properties

Compound Name4-[bromo-[2-(trifluoromethyl)phenyl]methyl]-1,2-dichlorobenzene
PubChem CID63444663
Molecular FormulaC14H8BrCl2F3
Molecular Weight384.02 g/mol
Exact Mass381.91
IUPAC Name4-[bromo-[2-(trifluoromethyl)phenyl]methyl]-1,2-dichlorobenzene
SMILESFC(F)(F)c1ccccc1C(Br)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H8BrCl2F3/c15-13(8-5-6-11(16)12(17)7-8)9-3-1-2-4-10(9)14(18,19)20/h1-7,13H
InChIKeyCRPLAWUUDUCJDV-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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Frequently Asked Questions

What is the IUPAC name of 4-[bromo-[2-(trifluoromethyl)phenyl]methyl]-1,2-dichlorobenzene?
The IUPAC name of 4-[bromo-[2-(trifluoromethyl)phenyl]methyl]-1,2-dichlorobenzene (CID 63444663) is 4-[bromo-[2-(trifluoromethyl)phenyl]methyl]-1,2-dichlorobenzene.
What is the SMILES notation for 4-[bromo-[2-(trifluoromethyl)phenyl]methyl]-1,2-dichlorobenzene?
The canonical SMILES for 4-[bromo-[2-(trifluoromethyl)phenyl]methyl]-1,2-dichlorobenzene is FC(F)(F)c1ccccc1C(Br)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-[bromo-[2-(trifluoromethyl)phenyl]methyl]-1,2-dichlorobenzene?
The InChIKey is CRPLAWUUDUCJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrCl2F3/c15-13(8-5-6-11(16)12(17)7-8)9-3-1-2-4-10(9)14(18,19)20/h1-7,13H.
What are the key properties of 4-[bromo-[2-(trifluoromethyl)phenyl]methyl]-1,2-dichlorobenzene?
4-[bromo-[2-(trifluoromethyl)phenyl]methyl]-1,2-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 4-[bromo-[2-(trifluoromethyl)phenyl]methyl]-1,2-dichlorobenzene is sourced from PubChem (CID 63444663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).