1,1,2-trichloro-2,3-dimethylcyclopropane

C5H7Cl3 — CID 70491596

IUPAC1,1,2-trichloro-2,3-dimethylcyclopropane
SMILESCC1C(C)(Cl)C1(Cl)Cl
InChIInChI=1S/C5H7Cl3/c1-3-4(2,6)5(3,7)8/h3H,1-2H3
InChIKeyHQLZWMQONJAMEY-UHFFFAOYSA-N
MW173.47 g/mol
LogP2.81
Rot. Bonds

About 1,1,2-trichloro-2,3-dimethylcyclopropane

1,1,2-trichloro-2,3-dimethylcyclopropane (PubChem CID 70491596) has the molecular formula C5H7Cl3 and a molecular weight of 173.47 g/mol. Its IUPAC name is 1,1,2-trichloro-2,3-dimethylcyclopropane.

Molecular Properties

Compound Name1,1,2-trichloro-2,3-dimethylcyclopropane
PubChem CID70491596
Molecular FormulaC5H7Cl3
Molecular Weight173.47 g/mol
Exact Mass171.96
IUPAC Name1,1,2-trichloro-2,3-dimethylcyclopropane
SMILESCC1C(C)(Cl)C1(Cl)Cl
InChIInChI=1S/C5H7Cl3/c1-3-4(2,6)5(3,7)8/h3H,1-2H3
InChIKeyHQLZWMQONJAMEY-UHFFFAOYSA-N
XLogP2.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.47
LogP ≤ 52.81
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 1,1,2-trichloro-2,3-dimethylcyclopropane?
The IUPAC name of 1,1,2-trichloro-2,3-dimethylcyclopropane (CID 70491596) is 1,1,2-trichloro-2,3-dimethylcyclopropane.
What is the SMILES notation for 1,1,2-trichloro-2,3-dimethylcyclopropane?
The canonical SMILES for 1,1,2-trichloro-2,3-dimethylcyclopropane is CC1C(C)(Cl)C1(Cl)Cl.
What is the InChIKey of 1,1,2-trichloro-2,3-dimethylcyclopropane?
The InChIKey is HQLZWMQONJAMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7Cl3/c1-3-4(2,6)5(3,7)8/h3H,1-2H3.
What are the key properties of 1,1,2-trichloro-2,3-dimethylcyclopropane?
1,1,2-trichloro-2,3-dimethylcyclopropane has a molecular weight of 173.47 g/mol, XLogP of 2.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trichloro-2,3-dimethylcyclopropane is sourced from PubChem (CID 70491596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).