1,4,6-trichloro-2,3-dihydro-1H-indene

C9H7Cl3 — CID 61384808

IUPAC1,4,6-trichloro-2,3-dihydro-1H-indene
SMILESClc1cc(Cl)c2c(c1)C(Cl)CC2
InChIInChI=1S/C9H7Cl3/c10-5-3-7-6(9(12)4-5)1-2-8(7)11/h3-4,8H,1-2H2
InChIKeyQZOQWLZEVHEWLA-UHFFFAOYSA-N
MW221.51 g/mol
LogP4.22
Rot. Bonds

About 1,4,6-trichloro-2,3-dihydro-1H-indene

1,4,6-trichloro-2,3-dihydro-1H-indene (PubChem CID 61384808) has the molecular formula C9H7Cl3 and a molecular weight of 221.51 g/mol. Its IUPAC name is 1,4,6-trichloro-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name1,4,6-trichloro-2,3-dihydro-1H-indene
PubChem CID61384808
Molecular FormulaC9H7Cl3
Molecular Weight221.51 g/mol
Exact Mass219.96
IUPAC Name1,4,6-trichloro-2,3-dihydro-1H-indene
SMILESClc1cc(Cl)c2c(c1)C(Cl)CC2
InChIInChI=1S/C9H7Cl3/c10-5-3-7-6(9(12)4-5)1-2-8(7)11/h3-4,8H,1-2H2
InChIKeyQZOQWLZEVHEWLA-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.51
LogP ≤ 54.22
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 1,4,6-trichloro-2,3-dihydro-1H-indene?
The IUPAC name of 1,4,6-trichloro-2,3-dihydro-1H-indene (CID 61384808) is 1,4,6-trichloro-2,3-dihydro-1H-indene.
What is the SMILES notation for 1,4,6-trichloro-2,3-dihydro-1H-indene?
The canonical SMILES for 1,4,6-trichloro-2,3-dihydro-1H-indene is Clc1cc(Cl)c2c(c1)C(Cl)CC2.
What is the InChIKey of 1,4,6-trichloro-2,3-dihydro-1H-indene?
The InChIKey is QZOQWLZEVHEWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl3/c10-5-3-7-6(9(12)4-5)1-2-8(7)11/h3-4,8H,1-2H2.
What are the key properties of 1,4,6-trichloro-2,3-dihydro-1H-indene?
1,4,6-trichloro-2,3-dihydro-1H-indene has a molecular weight of 221.51 g/mol, XLogP of 4.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6-trichloro-2,3-dihydro-1H-indene is sourced from PubChem (CID 61384808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).