2,2,3,3-tetrachlorocyclopropane-1-carbonitrile

C4HCl4N — CID 68540020

IUPAC2,2,3,3-tetrachlorocyclopropane-1-carbonitrile
SMILESN#CC1C(Cl)(Cl)C1(Cl)Cl
InChIInChI=1S/C4HCl4N/c5-3(6)2(1-9)4(3,7)8/h2H
InChIKeyYRUDBMQGQSQAQY-UHFFFAOYSA-N
MW204.87 g/mol
LogP2.49
Rot. Bonds

About 2,2,3,3-tetrachlorocyclopropane-1-carbonitrile

2,2,3,3-tetrachlorocyclopropane-1-carbonitrile (PubChem CID 68540020) has the molecular formula C4HCl4N and a molecular weight of 204.87 g/mol. Its IUPAC name is 2,2,3,3-tetrachlorocyclopropane-1-carbonitrile.

Molecular Properties

Compound Name2,2,3,3-tetrachlorocyclopropane-1-carbonitrile
PubChem CID68540020
Molecular FormulaC4HCl4N
Molecular Weight204.87 g/mol
Exact Mass202.89
IUPAC Name2,2,3,3-tetrachlorocyclopropane-1-carbonitrile
SMILESN#CC1C(Cl)(Cl)C1(Cl)Cl
InChIInChI=1S/C4HCl4N/c5-3(6)2(1-9)4(3,7)8/h2H
InChIKeyYRUDBMQGQSQAQY-UHFFFAOYSA-N
XLogP2.49
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.87
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2,2,3,3-tetrachlorocyclopropane-1-carbonitrile?
The IUPAC name of 2,2,3,3-tetrachlorocyclopropane-1-carbonitrile (CID 68540020) is 2,2,3,3-tetrachlorocyclopropane-1-carbonitrile.
What is the SMILES notation for 2,2,3,3-tetrachlorocyclopropane-1-carbonitrile?
The canonical SMILES for 2,2,3,3-tetrachlorocyclopropane-1-carbonitrile is N#CC1C(Cl)(Cl)C1(Cl)Cl.
What is the InChIKey of 2,2,3,3-tetrachlorocyclopropane-1-carbonitrile?
The InChIKey is YRUDBMQGQSQAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HCl4N/c5-3(6)2(1-9)4(3,7)8/h2H.
What are the key properties of 2,2,3,3-tetrachlorocyclopropane-1-carbonitrile?
2,2,3,3-tetrachlorocyclopropane-1-carbonitrile has a molecular weight of 204.87 g/mol, XLogP of 2.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrachlorocyclopropane-1-carbonitrile is sourced from PubChem (CID 68540020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).