1,3,3-trichlorocyclopropene

C3HCl3 — CID 173171283

IUPAC1,3,3-trichlorocyclopropene
SMILESClC1=CC1(Cl)Cl
InChIInChI=1S/C3HCl3/c4-2-1-3(2,5)6/h1H
InChIKeyLEGNKRVYQMRAEF-UHFFFAOYSA-N
MW143.40 g/mol
LogP2.30
Rot. Bonds

About 1,3,3-trichlorocyclopropene

1,3,3-trichlorocyclopropene (PubChem CID 173171283) has the molecular formula C3HCl3 and a molecular weight of 143.40 g/mol. Its IUPAC name is 1,3,3-trichlorocyclopropene.

Molecular Properties

Compound Name1,3,3-trichlorocyclopropene
PubChem CID173171283
Molecular FormulaC3HCl3
Molecular Weight143.40 g/mol
Exact Mass141.91
IUPAC Name1,3,3-trichlorocyclopropene
SMILESClC1=CC1(Cl)Cl
InChIInChI=1S/C3HCl3/c4-2-1-3(2,5)6/h1H
InChIKeyLEGNKRVYQMRAEF-UHFFFAOYSA-N
XLogP2.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.40
LogP ≤ 52.30
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 1,3,3-trichlorocyclopropene?
The IUPAC name of 1,3,3-trichlorocyclopropene (CID 173171283) is 1,3,3-trichlorocyclopropene.
What is the SMILES notation for 1,3,3-trichlorocyclopropene?
The canonical SMILES for 1,3,3-trichlorocyclopropene is ClC1=CC1(Cl)Cl.
What is the InChIKey of 1,3,3-trichlorocyclopropene?
The InChIKey is LEGNKRVYQMRAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HCl3/c4-2-1-3(2,5)6/h1H.
What are the key properties of 1,3,3-trichlorocyclopropene?
1,3,3-trichlorocyclopropene has a molecular weight of 143.40 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trichlorocyclopropene is sourced from PubChem (CID 173171283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).