1,2,4-trichlorocyclopenta-1,3-diene

C5H3Cl3 — CID 122201414

IUPAC1,2,4-trichlorocyclopenta-1,3-diene
SMILESClC1=CC(Cl)=C(Cl)C1
InChIInChI=1S/C5H3Cl3/c6-3-1-4(7)5(8)2-3/h1H,2H2
InChIKeyVKXIAKIRELCMLU-UHFFFAOYSA-N
MW169.44 g/mol
LogP3.20
Rot. Bonds

About 1,2,4-trichlorocyclopenta-1,3-diene

1,2,4-trichlorocyclopenta-1,3-diene (PubChem CID 122201414) has the molecular formula C5H3Cl3 and a molecular weight of 169.44 g/mol. Its IUPAC name is 1,2,4-trichlorocyclopenta-1,3-diene.

Molecular Properties

Compound Name1,2,4-trichlorocyclopenta-1,3-diene
PubChem CID122201414
Molecular FormulaC5H3Cl3
Molecular Weight169.44 g/mol
Exact Mass167.93
IUPAC Name1,2,4-trichlorocyclopenta-1,3-diene
SMILESClC1=CC(Cl)=C(Cl)C1
InChIInChI=1S/C5H3Cl3/c6-3-1-4(7)5(8)2-3/h1H,2H2
InChIKeyVKXIAKIRELCMLU-UHFFFAOYSA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.44
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,4-trichlorocyclopenta-1,3-diene?
The IUPAC name of 1,2,4-trichlorocyclopenta-1,3-diene (CID 122201414) is 1,2,4-trichlorocyclopenta-1,3-diene.
What is the SMILES notation for 1,2,4-trichlorocyclopenta-1,3-diene?
The canonical SMILES for 1,2,4-trichlorocyclopenta-1,3-diene is ClC1=CC(Cl)=C(Cl)C1.
What is the InChIKey of 1,2,4-trichlorocyclopenta-1,3-diene?
The InChIKey is VKXIAKIRELCMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl3/c6-3-1-4(7)5(8)2-3/h1H,2H2.
What are the key properties of 1,2,4-trichlorocyclopenta-1,3-diene?
1,2,4-trichlorocyclopenta-1,3-diene has a molecular weight of 169.44 g/mol, XLogP of 3.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trichlorocyclopenta-1,3-diene is sourced from PubChem (CID 122201414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).