5-(1,1,2,2,2-pentachloroethyl)-5-pentyltetrazole

C8H11Cl5N4 — CID 69382501

IUPAC5-(1,1,2,2,2-pentachloroethyl)-5-pentyltetrazole
SMILESCCCCCC1(C(Cl)(Cl)C(Cl)(Cl)Cl)N=NN=N1
InChIInChI=1S/C8H11Cl5N4/c1-2-3-4-5-6(14-16-17-15-6)7(9,10)8(11,12)13/h2-5H2,1H3
InChIKeyXDGDKVLGZHIVNU-UHFFFAOYSA-N
MW340.47 g/mol
LogP5.64
Rot. Bonds5

About 5-(1,1,2,2,2-pentachloroethyl)-5-pentyltetrazole

5-(1,1,2,2,2-pentachloroethyl)-5-pentyltetrazole (PubChem CID 69382501) has the molecular formula C8H11Cl5N4 and a molecular weight of 340.47 g/mol. Its IUPAC name is 5-(1,1,2,2,2-pentachloroethyl)-5-pentyltetrazole.

Molecular Properties

Compound Name5-(1,1,2,2,2-pentachloroethyl)-5-pentyltetrazole
PubChem CID69382501
Molecular FormulaC8H11Cl5N4
Molecular Weight340.47 g/mol
Exact Mass337.94
IUPAC Name5-(1,1,2,2,2-pentachloroethyl)-5-pentyltetrazole
SMILESCCCCCC1(C(Cl)(Cl)C(Cl)(Cl)Cl)N=NN=N1
InChIInChI=1S/C8H11Cl5N4/c1-2-3-4-5-6(14-16-17-15-6)7(9,10)8(11,12)13/h2-5H2,1H3
InChIKeyXDGDKVLGZHIVNU-UHFFFAOYSA-N
XLogP5.64
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.47
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-5-(1,1,2,2,2-pentachloroethyl)tetrazole
CID 69382124
5,5-dihexyltetrazole
CID 69386804
5-methyl-5-pentyltetrazole
CID 69382844
5-ethyl-5-(trichloromethyl)tetrazole
CID 69382332
5-pentyltetrazole-5-carbonitrile
CID 69382845
dichloromethane;hexane;tetrachloromethane
CID 88500059
5-butyl-5-ethyltetrazole
CID 68800278
beryllium;hexane;hydride
CID 173045264
5-butyl-5-propan-2-yltetrazole
CID 69385429
4-(3-nonyldiazirin-3-yl)butanoic acid
CID 171522865
hexane;hypochlorous acid
CID 88775298
3,3-dipentylpyrazole
CID 68635584

Frequently Asked Questions

What is the IUPAC name of 5-(1,1,2,2,2-pentachloroethyl)-5-pentyltetrazole?
The IUPAC name of 5-(1,1,2,2,2-pentachloroethyl)-5-pentyltetrazole (CID 69382501) is 5-(1,1,2,2,2-pentachloroethyl)-5-pentyltetrazole.
What is the SMILES notation for 5-(1,1,2,2,2-pentachloroethyl)-5-pentyltetrazole?
The canonical SMILES for 5-(1,1,2,2,2-pentachloroethyl)-5-pentyltetrazole is CCCCCC1(C(Cl)(Cl)C(Cl)(Cl)Cl)N=NN=N1.
What is the InChIKey of 5-(1,1,2,2,2-pentachloroethyl)-5-pentyltetrazole?
The InChIKey is XDGDKVLGZHIVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl5N4/c1-2-3-4-5-6(14-16-17-15-6)7(9,10)8(11,12)13/h2-5H2,1H3.
What are the key properties of 5-(1,1,2,2,2-pentachloroethyl)-5-pentyltetrazole?
5-(1,1,2,2,2-pentachloroethyl)-5-pentyltetrazole has a molecular weight of 340.47 g/mol, XLogP of 5.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,2,2,2-pentachloroethyl)-5-pentyltetrazole is sourced from PubChem (CID 69382501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).