5-(1,1,2,2,2-pentachloroethyl)-2H-tetrazole

C3HCl5N4 — CID 69385216

IUPAC5-(1,1,2,2,2-pentachloroethyl)-2H-tetrazole
SMILESClC(Cl)(Cl)C(Cl)(Cl)c1nn[nH]n1
InChIInChI=1S/C3HCl5N4/c4-2(5,3(6,7)8)1-9-11-12-10-1/h(H,9,10,11,12)
InChIKeyQGIQYKQTCFFQEF-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.20
Rot. Bonds1

About 5-(1,1,2,2,2-pentachloroethyl)-2H-tetrazole

5-(1,1,2,2,2-pentachloroethyl)-2H-tetrazole (PubChem CID 69385216) has the molecular formula C3HCl5N4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 5-(1,1,2,2,2-pentachloroethyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(1,1,2,2,2-pentachloroethyl)-2H-tetrazole
PubChem CID69385216
Molecular FormulaC3HCl5N4
Molecular Weight270.33 g/mol
Exact Mass267.86
IUPAC Name5-(1,1,2,2,2-pentachloroethyl)-2H-tetrazole
SMILESClC(Cl)(Cl)C(Cl)(Cl)c1nn[nH]n1
InChIInChI=1S/C3HCl5N4/c4-2(5,3(6,7)8)1-9-11-12-10-1/h(H,9,10,11,12)
InChIKeyQGIQYKQTCFFQEF-UHFFFAOYSA-N
XLogP2.20
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-(1,1,2,2,2-pentachloroethyl)-2H-tetrazole?
The IUPAC name of 5-(1,1,2,2,2-pentachloroethyl)-2H-tetrazole (CID 69385216) is 5-(1,1,2,2,2-pentachloroethyl)-2H-tetrazole.
What is the SMILES notation for 5-(1,1,2,2,2-pentachloroethyl)-2H-tetrazole?
The canonical SMILES for 5-(1,1,2,2,2-pentachloroethyl)-2H-tetrazole is ClC(Cl)(Cl)C(Cl)(Cl)c1nn[nH]n1.
What is the InChIKey of 5-(1,1,2,2,2-pentachloroethyl)-2H-tetrazole?
The InChIKey is QGIQYKQTCFFQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HCl5N4/c4-2(5,3(6,7)8)1-9-11-12-10-1/h(H,9,10,11,12).
What are the key properties of 5-(1,1,2,2,2-pentachloroethyl)-2H-tetrazole?
5-(1,1,2,2,2-pentachloroethyl)-2H-tetrazole has a molecular weight of 270.33 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,2,2,2-pentachloroethyl)-2H-tetrazole is sourced from PubChem (CID 69385216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).