1-[1,1,2,2-tetrachloro-2-[4-(trichloromethyl)phenyl]ethyl]-4-(trichloromethyl)benzene

C16H8Cl10 — CID 624097

IUPAC1-[1,1,2,2-tetrachloro-2-[4-(trichloromethyl)phenyl]ethyl]-4-(trichloromethyl)benzene
SMILESClC(Cl)(Cl)c1ccc(C(Cl)(Cl)C(Cl)(Cl)c2ccc(C(Cl)(Cl)Cl)cc2)cc1
InChIInChI=1S/C16H8Cl10/c17-13(18,9-1-5-11(6-2-9)15(21,22)23)14(19,20)10-3-7-12(8-4-10)16(24,25)26/h1-8H
InChIKeyIWYVKFUNCZVSMI-UHFFFAOYSA-N
MW554.77 g/mol
LogP9.30
Rot. Bonds3

About 1-[1,1,2,2-tetrachloro-2-[4-(trichloromethyl)phenyl]ethyl]-4-(trichloromethyl)benzene

1-[1,1,2,2-tetrachloro-2-[4-(trichloromethyl)phenyl]ethyl]-4-(trichloromethyl)benzene (PubChem CID 624097) has the molecular formula C16H8Cl10 and a molecular weight of 554.77 g/mol. Its IUPAC name is 1-[1,1,2,2-tetrachloro-2-[4-(trichloromethyl)phenyl]ethyl]-4-(trichloromethyl)benzene.

Molecular Properties

Compound Name1-[1,1,2,2-tetrachloro-2-[4-(trichloromethyl)phenyl]ethyl]-4-(trichloromethyl)benzene
PubChem CID624097
Molecular FormulaC16H8Cl10
Molecular Weight554.77 g/mol
Exact Mass549.75
IUPAC Name1-[1,1,2,2-tetrachloro-2-[4-(trichloromethyl)phenyl]ethyl]-4-(trichloromethyl)benzene
SMILESClC(Cl)(Cl)c1ccc(C(Cl)(Cl)C(Cl)(Cl)c2ccc(C(Cl)(Cl)Cl)cc2)cc1
InChIInChI=1S/C16H8Cl10/c17-13(18,9-1-5-11(6-2-9)15(21,22)23)14(19,20)10-3-7-12(8-4-10)16(24,25)26/h1-8H
InChIKeyIWYVKFUNCZVSMI-UHFFFAOYSA-N
XLogP9.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.77
LogP ≤ 59.30
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-[1,1,2,2-tetrachloro-2-[4-(trichloromethyl)phenyl]ethyl]-4-(trichloromethyl)benzene?
The IUPAC name of 1-[1,1,2,2-tetrachloro-2-[4-(trichloromethyl)phenyl]ethyl]-4-(trichloromethyl)benzene (CID 624097) is 1-[1,1,2,2-tetrachloro-2-[4-(trichloromethyl)phenyl]ethyl]-4-(trichloromethyl)benzene.
What is the SMILES notation for 1-[1,1,2,2-tetrachloro-2-[4-(trichloromethyl)phenyl]ethyl]-4-(trichloromethyl)benzene?
The canonical SMILES for 1-[1,1,2,2-tetrachloro-2-[4-(trichloromethyl)phenyl]ethyl]-4-(trichloromethyl)benzene is ClC(Cl)(Cl)c1ccc(C(Cl)(Cl)C(Cl)(Cl)c2ccc(C(Cl)(Cl)Cl)cc2)cc1.
What is the InChIKey of 1-[1,1,2,2-tetrachloro-2-[4-(trichloromethyl)phenyl]ethyl]-4-(trichloromethyl)benzene?
The InChIKey is IWYVKFUNCZVSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl10/c17-13(18,9-1-5-11(6-2-9)15(21,22)23)14(19,20)10-3-7-12(8-4-10)16(24,25)26/h1-8H.
What are the key properties of 1-[1,1,2,2-tetrachloro-2-[4-(trichloromethyl)phenyl]ethyl]-4-(trichloromethyl)benzene?
1-[1,1,2,2-tetrachloro-2-[4-(trichloromethyl)phenyl]ethyl]-4-(trichloromethyl)benzene has a molecular weight of 554.77 g/mol, XLogP of 9.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1,2,2-tetrachloro-2-[4-(trichloromethyl)phenyl]ethyl]-4-(trichloromethyl)benzene is sourced from PubChem (CID 624097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).