(1S)-1,4,6-trichloro-2,3-dihydro-1H-indene

C9H7Cl3 — CID 94828375

IUPAC(1S)-1,4,6-trichloro-2,3-dihydro-1H-indene
SMILESClc1cc(Cl)c2c(c1)[C@@H](Cl)CC2
InChIInChI=1S/C9H7Cl3/c10-5-3-7-6(9(12)4-5)1-2-8(7)11/h3-4,8H,1-2H2/t8-/m0/s1
InChIKeyQZOQWLZEVHEWLA-QMMMGPOBSA-N
MW221.51 g/mol
LogP4.22
Rot. Bonds

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

(1S)-1,4,6-trichloro-2,3-dihydro-1H-indene (PubChem CID 94828375) has the molecular formula C9H7Cl3 and a molecular weight of 221.51 g/mol. Its IUPAC name is (1S)-1,4,6-trichloro-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name(1S)-1,4,6-trichloro-2,3-dihydro-1H-indene
PubChem CID94828375
Molecular FormulaC9H7Cl3
Molecular Weight221.51 g/mol
Exact Mass219.96
IUPAC Name(1S)-1,4,6-trichloro-2,3-dihydro-1H-indene
SMILESClc1cc(Cl)c2c(c1)[C@@H](Cl)CC2
InChIInChI=1S/C9H7Cl3/c10-5-3-7-6(9(12)4-5)1-2-8(7)11/h3-4,8H,1-2H2/t8-/m0/s1
InChIKeyQZOQWLZEVHEWLA-QMMMGPOBSA-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 (1S)-1,4,6-trichloro-2,3-dihydro-1H-indene?
The IUPAC name of (1S)-1,4,6-trichloro-2,3-dihydro-1H-indene (CID 94828375) is (1S)-1,4,6-trichloro-2,3-dihydro-1H-indene.
What is the SMILES notation for (1S)-1,4,6-trichloro-2,3-dihydro-1H-indene?
The canonical SMILES for (1S)-1,4,6-trichloro-2,3-dihydro-1H-indene is Clc1cc(Cl)c2c(c1)[C@@H](Cl)CC2.
What is the InChIKey of (1S)-1,4,6-trichloro-2,3-dihydro-1H-indene?
The InChIKey is QZOQWLZEVHEWLA-QMMMGPOBSA-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/t8-/m0/s1.
What are the key properties of (1S)-1,4,6-trichloro-2,3-dihydro-1H-indene?
(1S)-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 (1S)-1,4,6-trichloro-2,3-dihydro-1H-indene is sourced from PubChem (CID 94828375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).