1,3,5-trichlorocyclohexane

C6H9Cl3 — CID 19898504

IUPAC1,3,5-trichlorocyclohexane
SMILESClC1CC(Cl)CC(Cl)C1
InChIInChI=1S/C6H9Cl3/c7-4-1-5(8)3-6(9)2-4/h4-6H,1-3H2
InChIKeyVHIAVVFQACJCEC-UHFFFAOYSA-N
MW187.50 g/mol
LogP2.99
Rot. Bonds

About 1,3,5-trichlorocyclohexane

1,3,5-trichlorocyclohexane (PubChem CID 19898504) has the molecular formula C6H9Cl3 and a molecular weight of 187.50 g/mol. Its IUPAC name is 1,3,5-trichlorocyclohexane.

Molecular Properties

Compound Name1,3,5-trichlorocyclohexane
PubChem CID19898504
Molecular FormulaC6H9Cl3
Molecular Weight187.50 g/mol
Exact Mass185.98
IUPAC Name1,3,5-trichlorocyclohexane
SMILESClC1CC(Cl)CC(Cl)C1
InChIInChI=1S/C6H9Cl3/c7-4-1-5(8)3-6(9)2-4/h4-6H,1-3H2
InChIKeyVHIAVVFQACJCEC-UHFFFAOYSA-N
XLogP2.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.50
LogP ≤ 52.99
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 1,3,5-trichlorocyclohexane?
The IUPAC name of 1,3,5-trichlorocyclohexane (CID 19898504) is 1,3,5-trichlorocyclohexane.
What is the SMILES notation for 1,3,5-trichlorocyclohexane?
The canonical SMILES for 1,3,5-trichlorocyclohexane is ClC1CC(Cl)CC(Cl)C1.
What is the InChIKey of 1,3,5-trichlorocyclohexane?
The InChIKey is VHIAVVFQACJCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9Cl3/c7-4-1-5(8)3-6(9)2-4/h4-6H,1-3H2.
What are the key properties of 1,3,5-trichlorocyclohexane?
1,3,5-trichlorocyclohexane has a molecular weight of 187.50 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trichlorocyclohexane is sourced from PubChem (CID 19898504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).