(3R,4S)-3,4-dichlorocyclobutene

C4H4Cl2 — CID 11378482

IUPAC(3R,4S)-3,4-dichlorocyclobutene
SMILESCl[C@@H]1C=C[C@@H]1Cl
InChIInChI=1S/C4H4Cl2/c5-3-1-2-4(3)6/h1-4H/t3-,4+
InChIKeyMNOAQNJDZROAPA-ZXZARUISSA-N
MW122.98 g/mol
LogP1.77
Rot. Bonds

About (3R,4S)-3,4-dichlorocyclobutene

(3R,4S)-3,4-dichlorocyclobutene (PubChem CID 11378482) has the molecular formula C4H4Cl2 and a molecular weight of 122.98 g/mol. Its IUPAC name is (3R,4S)-3,4-dichlorocyclobutene.

Molecular Properties

Compound Name(3R,4S)-3,4-dichlorocyclobutene
PubChem CID11378482
Molecular FormulaC4H4Cl2
Molecular Weight122.98 g/mol
Exact Mass121.97
IUPAC Name(3R,4S)-3,4-dichlorocyclobutene
SMILESCl[C@@H]1C=C[C@@H]1Cl
InChIInChI=1S/C4H4Cl2/c5-3-1-2-4(3)6/h1-4H/t3-,4+
InChIKeyMNOAQNJDZROAPA-ZXZARUISSA-N
XLogP1.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.98
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3,4-dichlorocyclobutene?
The IUPAC name of (3R,4S)-3,4-dichlorocyclobutene (CID 11378482) is (3R,4S)-3,4-dichlorocyclobutene.
What is the SMILES notation for (3R,4S)-3,4-dichlorocyclobutene?
The canonical SMILES for (3R,4S)-3,4-dichlorocyclobutene is Cl[C@@H]1C=C[C@@H]1Cl.
What is the InChIKey of (3R,4S)-3,4-dichlorocyclobutene?
The InChIKey is MNOAQNJDZROAPA-ZXZARUISSA-N. The full InChI is InChI=1S/C4H4Cl2/c5-3-1-2-4(3)6/h1-4H/t3-,4+.
What are the key properties of (3R,4S)-3,4-dichlorocyclobutene?
(3R,4S)-3,4-dichlorocyclobutene has a molecular weight of 122.98 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3,4-dichlorocyclobutene is sourced from PubChem (CID 11378482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).