4-bromo-1-[chloro-(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)benzene

C14H7BrCl3F3 — CID 107333351

IUPAC4-bromo-1-[chloro-(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(Br)ccc1C(Cl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H7BrCl3F3/c15-8-2-3-9(10(6-8)14(19,20)21)13(18)7-1-4-11(16)12(17)5-7/h1-6,13H
InChIKeyYRTULVPMXQZFLA-UHFFFAOYSA-N
MW418.47 g/mol
LogP7.10
Rot. Bonds2

About 4-bromo-1-[chloro-(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)benzene

4-bromo-1-[chloro-(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)benzene (PubChem CID 107333351) has the molecular formula C14H7BrCl3F3 and a molecular weight of 418.47 g/mol. Its IUPAC name is 4-bromo-1-[chloro-(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-bromo-1-[chloro-(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)benzene
PubChem CID107333351
Molecular FormulaC14H7BrCl3F3
Molecular Weight418.47 g/mol
Exact Mass415.87
IUPAC Name4-bromo-1-[chloro-(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(Br)ccc1C(Cl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H7BrCl3F3/c15-8-2-3-9(10(6-8)14(19,20)21)13(18)7-1-4-11(16)12(17)5-7/h1-6,13H
InChIKeyYRTULVPMXQZFLA-UHFFFAOYSA-N
XLogP7.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.47
LogP ≤ 57.10
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-1-[chloro-(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)benzene?
The IUPAC name of 4-bromo-1-[chloro-(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)benzene (CID 107333351) is 4-bromo-1-[chloro-(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)benzene.
What is the SMILES notation for 4-bromo-1-[chloro-(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)benzene?
The canonical SMILES for 4-bromo-1-[chloro-(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)benzene is FC(F)(F)c1cc(Br)ccc1C(Cl)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-bromo-1-[chloro-(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)benzene?
The InChIKey is YRTULVPMXQZFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrCl3F3/c15-8-2-3-9(10(6-8)14(19,20)21)13(18)7-1-4-11(16)12(17)5-7/h1-6,13H.
What are the key properties of 4-bromo-1-[chloro-(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)benzene?
4-bromo-1-[chloro-(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)benzene has a molecular weight of 418.47 g/mol, XLogP of 7.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[chloro-(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)benzene is sourced from PubChem (CID 107333351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).