1-[difluoro-[4-(trichloromethyl)phenyl]methyl]-4-(trichloromethyl)benzene

C15H8Cl6F2 — CID 21412930

IUPAC1-[difluoro-[4-(trichloromethyl)phenyl]methyl]-4-(trichloromethyl)benzene
SMILESFC(F)(c1ccc(C(Cl)(Cl)Cl)cc1)c1ccc(C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C15H8Cl6F2/c16-14(17,18)11-5-1-9(2-6-11)13(22,23)10-3-7-12(8-4-10)15(19,20)21/h1-8H
InChIKeyJFOYNMYSZGCIRQ-UHFFFAOYSA-N
MW438.94 g/mol
LogP7.48
Rot. Bonds2

About 1-[difluoro-[4-(trichloromethyl)phenyl]methyl]-4-(trichloromethyl)benzene

1-[difluoro-[4-(trichloromethyl)phenyl]methyl]-4-(trichloromethyl)benzene (PubChem CID 21412930) has the molecular formula C15H8Cl6F2 and a molecular weight of 438.94 g/mol. Its IUPAC name is 1-[difluoro-[4-(trichloromethyl)phenyl]methyl]-4-(trichloromethyl)benzene.

Molecular Properties

Compound Name1-[difluoro-[4-(trichloromethyl)phenyl]methyl]-4-(trichloromethyl)benzene
PubChem CID21412930
Molecular FormulaC15H8Cl6F2
Molecular Weight438.94 g/mol
Exact Mass435.87
IUPAC Name1-[difluoro-[4-(trichloromethyl)phenyl]methyl]-4-(trichloromethyl)benzene
SMILESFC(F)(c1ccc(C(Cl)(Cl)Cl)cc1)c1ccc(C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C15H8Cl6F2/c16-14(17,18)11-5-1-9(2-6-11)13(22,23)10-3-7-12(8-4-10)15(19,20)21/h1-8H
InChIKeyJFOYNMYSZGCIRQ-UHFFFAOYSA-N
XLogP7.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.94
LogP ≤ 57.48
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 1-[difluoro-[4-(trichloromethyl)phenyl]methyl]-4-(trichloromethyl)benzene?
The IUPAC name of 1-[difluoro-[4-(trichloromethyl)phenyl]methyl]-4-(trichloromethyl)benzene (CID 21412930) is 1-[difluoro-[4-(trichloromethyl)phenyl]methyl]-4-(trichloromethyl)benzene.
What is the SMILES notation for 1-[difluoro-[4-(trichloromethyl)phenyl]methyl]-4-(trichloromethyl)benzene?
The canonical SMILES for 1-[difluoro-[4-(trichloromethyl)phenyl]methyl]-4-(trichloromethyl)benzene is FC(F)(c1ccc(C(Cl)(Cl)Cl)cc1)c1ccc(C(Cl)(Cl)Cl)cc1.
What is the InChIKey of 1-[difluoro-[4-(trichloromethyl)phenyl]methyl]-4-(trichloromethyl)benzene?
The InChIKey is JFOYNMYSZGCIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl6F2/c16-14(17,18)11-5-1-9(2-6-11)13(22,23)10-3-7-12(8-4-10)15(19,20)21/h1-8H.
What are the key properties of 1-[difluoro-[4-(trichloromethyl)phenyl]methyl]-4-(trichloromethyl)benzene?
1-[difluoro-[4-(trichloromethyl)phenyl]methyl]-4-(trichloromethyl)benzene has a molecular weight of 438.94 g/mol, XLogP of 7.48, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro-[4-(trichloromethyl)phenyl]methyl]-4-(trichloromethyl)benzene is sourced from PubChem (CID 21412930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).