trichloromethylbenzene

C7H5Cl3 — CID 7367

IUPACtrichloromethylbenzene
SMILESClC(Cl)(Cl)c1ccccc1
InChIInChI=1S/C7H5Cl3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H
InChIKeyXEMRAKSQROQPBR-UHFFFAOYSA-N
MW195.48 g/mol
LogP3.51
Rot. Bonds

About trichloromethylbenzene

trichloromethylbenzene (PubChem CID 7367) has the molecular formula C7H5Cl3 and a molecular weight of 195.48 g/mol. Its IUPAC name is trichloromethylbenzene.

Molecular Properties

Compound Nametrichloromethylbenzene
PubChem CID7367
Molecular FormulaC7H5Cl3
Molecular Weight195.48 g/mol
Exact Mass193.95
IUPAC Nametrichloromethylbenzene
SMILESClC(Cl)(Cl)c1ccccc1
InChIInChI=1S/C7H5Cl3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H
InChIKeyXEMRAKSQROQPBR-UHFFFAOYSA-N
XLogP3.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.48
LogP ≤ 53.51
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 trichloromethylbenzene?
The IUPAC name of trichloromethylbenzene (CID 7367) is trichloromethylbenzene.
What is the SMILES notation for trichloromethylbenzene?
The canonical SMILES for trichloromethylbenzene is ClC(Cl)(Cl)c1ccccc1.
What is the InChIKey of trichloromethylbenzene?
The InChIKey is XEMRAKSQROQPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H.
What are the key properties of trichloromethylbenzene?
trichloromethylbenzene has a molecular weight of 195.48 g/mol, XLogP of 3.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trichloromethylbenzene is sourced from PubChem (CID 7367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).