3,3,4,4-tetrachlorocyclobutene-1,2-diamine

C4H4Cl4N2 — CID 177307720

IUPAC3,3,4,4-tetrachlorocyclobutene-1,2-diamine
SMILESNC1=C(N)C(Cl)(Cl)C1(Cl)Cl
InChIInChI=1S/C4H4Cl4N2/c5-3(6)1(9)2(10)4(3,7)8/h9-10H2
InChIKeyUMAJNQRNRRPYKT-UHFFFAOYSA-N
MW221.90 g/mol
LogP1.48
Rot. Bonds

About 3,3,4,4-tetrachlorocyclobutene-1,2-diamine

3,3,4,4-tetrachlorocyclobutene-1,2-diamine (PubChem CID 177307720) has the molecular formula C4H4Cl4N2 and a molecular weight of 221.90 g/mol. Its IUPAC name is 3,3,4,4-tetrachlorocyclobutene-1,2-diamine.

Molecular Properties

Compound Name3,3,4,4-tetrachlorocyclobutene-1,2-diamine
PubChem CID177307720
Molecular FormulaC4H4Cl4N2
Molecular Weight221.90 g/mol
Exact Mass219.91
IUPAC Name3,3,4,4-tetrachlorocyclobutene-1,2-diamine
SMILESNC1=C(N)C(Cl)(Cl)C1(Cl)Cl
InChIInChI=1S/C4H4Cl4N2/c5-3(6)1(9)2(10)4(3,7)8/h9-10H2
InChIKeyUMAJNQRNRRPYKT-UHFFFAOYSA-N
XLogP1.48
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.90
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 3,3,4,4-tetrachlorocyclobutene-1,2-diamine?
The IUPAC name of 3,3,4,4-tetrachlorocyclobutene-1,2-diamine (CID 177307720) is 3,3,4,4-tetrachlorocyclobutene-1,2-diamine.
What is the SMILES notation for 3,3,4,4-tetrachlorocyclobutene-1,2-diamine?
The canonical SMILES for 3,3,4,4-tetrachlorocyclobutene-1,2-diamine is NC1=C(N)C(Cl)(Cl)C1(Cl)Cl.
What is the InChIKey of 3,3,4,4-tetrachlorocyclobutene-1,2-diamine?
The InChIKey is UMAJNQRNRRPYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4Cl4N2/c5-3(6)1(9)2(10)4(3,7)8/h9-10H2.
What are the key properties of 3,3,4,4-tetrachlorocyclobutene-1,2-diamine?
3,3,4,4-tetrachlorocyclobutene-1,2-diamine has a molecular weight of 221.90 g/mol, XLogP of 1.48, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4-tetrachlorocyclobutene-1,2-diamine is sourced from PubChem (CID 177307720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).