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

C8H11Cl5N4 — CID 69032094

IUPAC5-(1,1,2,2,2-pentachloroethyl)-2-pentyltetrazole
SMILESCCCCCn1nnc(C(Cl)(Cl)C(Cl)(Cl)Cl)n1
InChIInChI=1S/C8H11Cl5N4/c1-2-3-4-5-17-15-6(14-16-17)7(9,10)8(11,12)13/h2-5H2,1H3
InChIKeyFURIAAXVRMBIMP-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.86
Rot. Bonds5

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

5-(1,1,2,2,2-pentachloroethyl)-2-pentyltetrazole (PubChem CID 69032094) 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)-2-pentyltetrazole.

Molecular Properties

Compound Name5-(1,1,2,2,2-pentachloroethyl)-2-pentyltetrazole
PubChem CID69032094
Molecular FormulaC8H11Cl5N4
Molecular Weight340.47 g/mol
Exact Mass337.94
IUPAC Name5-(1,1,2,2,2-pentachloroethyl)-2-pentyltetrazole
SMILESCCCCCn1nnc(C(Cl)(Cl)C(Cl)(Cl)Cl)n1
InChIInChI=1S/C8H11Cl5N4/c1-2-3-4-5-17-15-6(14-16-17)7(9,10)8(11,12)13/h2-5H2,1H3
InChIKeyFURIAAXVRMBIMP-UHFFFAOYSA-N
XLogP3.86
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.86
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

2-butyl-5-(trichloromethyl)tetrazole
CID 69031638
5-(2-methylpropyl)-2-pentyltetrazole
CID 69030180
2-butyl-5-propyltetrazole
CID 69034353
2-bromo-5-(1,1,2,2,2-pentachloroethyl)tetrazole
CID 87664920
2-(2-dodecyltetrazol-5-yl)-2-methyl-N-(2,4,6-trimethoxyphenyl)propanamide
CID 10163395
5-tert-butyl-2-ethyltetrazole
CID 23395916
1,4-dibutyl-5-(1,1,2,2,2-pentachloroethyl)triazole
CID 69385511
1-[3-(5-tert-butyltetrazol-2-yl)propyl]-4-methylpiperazine
CID 134582733
5-[4-[(Z)-but-2-en-2-yl]phenyl]-2-pentyltetrazole
CID 173339774
2,2-bis(methylsulfonyl)-2-(2-tridecyltetrazol-5-yl)-N-(2,4,6-trimethoxyphenyl)acetamide
CID 142649569
2-(2-methylpropyl)-5-(trichloromethyl)tetrazole
CID 69035182
2,2,2-trichloro-N-(2-propyltetrazol-5-yl)acetamide
CID 3330529

Frequently Asked Questions

What is the IUPAC name of 5-(1,1,2,2,2-pentachloroethyl)-2-pentyltetrazole?
The IUPAC name of 5-(1,1,2,2,2-pentachloroethyl)-2-pentyltetrazole (CID 69032094) is 5-(1,1,2,2,2-pentachloroethyl)-2-pentyltetrazole.
What is the SMILES notation for 5-(1,1,2,2,2-pentachloroethyl)-2-pentyltetrazole?
The canonical SMILES for 5-(1,1,2,2,2-pentachloroethyl)-2-pentyltetrazole is CCCCCn1nnc(C(Cl)(Cl)C(Cl)(Cl)Cl)n1.
What is the InChIKey of 5-(1,1,2,2,2-pentachloroethyl)-2-pentyltetrazole?
The InChIKey is FURIAAXVRMBIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl5N4/c1-2-3-4-5-17-15-6(14-16-17)7(9,10)8(11,12)13/h2-5H2,1H3.
What are the key properties of 5-(1,1,2,2,2-pentachloroethyl)-2-pentyltetrazole?
5-(1,1,2,2,2-pentachloroethyl)-2-pentyltetrazole has a molecular weight of 340.47 g/mol, XLogP of 3.86, 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)-2-pentyltetrazole is sourced from PubChem (CID 69032094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).