1-ethyl-5-(1,1,2,2,2-pentafluoroethyl)tetrazole

C5H5F5N4 — CID 87664808

IUPAC1-ethyl-5-(1,1,2,2,2-pentafluoroethyl)tetrazole
SMILESCCn1nnnc1C(F)(F)C(F)(F)F
InChIInChI=1S/C5H5F5N4/c1-2-14-3(11-12-13-14)4(6,7)5(8,9)10/h2H2,1H3
InChIKeyARSZEZASVVTCJP-UHFFFAOYSA-N
MW216.11 g/mol
LogP1.35
Rot. Bonds2

About 1-ethyl-5-(1,1,2,2,2-pentafluoroethyl)tetrazole

1-ethyl-5-(1,1,2,2,2-pentafluoroethyl)tetrazole (PubChem CID 87664808) has the molecular formula C5H5F5N4 and a molecular weight of 216.11 g/mol. Its IUPAC name is 1-ethyl-5-(1,1,2,2,2-pentafluoroethyl)tetrazole.

Molecular Properties

Compound Name1-ethyl-5-(1,1,2,2,2-pentafluoroethyl)tetrazole
PubChem CID87664808
Molecular FormulaC5H5F5N4
Molecular Weight216.11 g/mol
Exact Mass216.04
IUPAC Name1-ethyl-5-(1,1,2,2,2-pentafluoroethyl)tetrazole
SMILESCCn1nnnc1C(F)(F)C(F)(F)F
InChIInChI=1S/C5H5F5N4/c1-2-14-3(11-12-13-14)4(6,7)5(8,9)10/h2H2,1H3
InChIKeyARSZEZASVVTCJP-UHFFFAOYSA-N
XLogP1.35
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.11
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(1,1,2,2,2-pentafluoroethyl)tetrazole?
The IUPAC name of 1-ethyl-5-(1,1,2,2,2-pentafluoroethyl)tetrazole (CID 87664808) is 1-ethyl-5-(1,1,2,2,2-pentafluoroethyl)tetrazole.
What is the SMILES notation for 1-ethyl-5-(1,1,2,2,2-pentafluoroethyl)tetrazole?
The canonical SMILES for 1-ethyl-5-(1,1,2,2,2-pentafluoroethyl)tetrazole is CCn1nnnc1C(F)(F)C(F)(F)F.
What is the InChIKey of 1-ethyl-5-(1,1,2,2,2-pentafluoroethyl)tetrazole?
The InChIKey is ARSZEZASVVTCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F5N4/c1-2-14-3(11-12-13-14)4(6,7)5(8,9)10/h2H2,1H3.
What are the key properties of 1-ethyl-5-(1,1,2,2,2-pentafluoroethyl)tetrazole?
1-ethyl-5-(1,1,2,2,2-pentafluoroethyl)tetrazole has a molecular weight of 216.11 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(1,1,2,2,2-pentafluoroethyl)tetrazole is sourced from PubChem (CID 87664808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).