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

C3F6N4 — CID 87665441

IUPAC2-fluoro-5-(1,1,2,2,2-pentafluoroethyl)tetrazole
SMILESFn1nnc(C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C3F6N4/c4-2(5,3(6,7)8)1-10-12-13(9)11-1
InChIKeyBWIZDUUYUCGYCB-UHFFFAOYSA-N
MW206.05 g/mol
LogP1.06
Rot. Bonds1

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

2-fluoro-5-(1,1,2,2,2-pentafluoroethyl)tetrazole (PubChem CID 87665441) has the molecular formula C3F6N4 and a molecular weight of 206.05 g/mol. Its IUPAC name is 2-fluoro-5-(1,1,2,2,2-pentafluoroethyl)tetrazole.

Molecular Properties

Compound Name2-fluoro-5-(1,1,2,2,2-pentafluoroethyl)tetrazole
PubChem CID87665441
Molecular FormulaC3F6N4
Molecular Weight206.05 g/mol
Exact Mass206.00
IUPAC Name2-fluoro-5-(1,1,2,2,2-pentafluoroethyl)tetrazole
SMILESFn1nnc(C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C3F6N4/c4-2(5,3(6,7)8)1-10-12-13(9)11-1
InChIKeyBWIZDUUYUCGYCB-UHFFFAOYSA-N
XLogP1.06
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.05
LogP ≤ 51.06
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 2-fluoro-5-(1,1,2,2,2-pentafluoroethyl)tetrazole?
The IUPAC name of 2-fluoro-5-(1,1,2,2,2-pentafluoroethyl)tetrazole (CID 87665441) is 2-fluoro-5-(1,1,2,2,2-pentafluoroethyl)tetrazole.
What is the SMILES notation for 2-fluoro-5-(1,1,2,2,2-pentafluoroethyl)tetrazole?
The canonical SMILES for 2-fluoro-5-(1,1,2,2,2-pentafluoroethyl)tetrazole is Fn1nnc(C(F)(F)C(F)(F)F)n1.
What is the InChIKey of 2-fluoro-5-(1,1,2,2,2-pentafluoroethyl)tetrazole?
The InChIKey is BWIZDUUYUCGYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3F6N4/c4-2(5,3(6,7)8)1-10-12-13(9)11-1.
What are the key properties of 2-fluoro-5-(1,1,2,2,2-pentafluoroethyl)tetrazole?
2-fluoro-5-(1,1,2,2,2-pentafluoroethyl)tetrazole has a molecular weight of 206.05 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(1,1,2,2,2-pentafluoroethyl)tetrazole is sourced from PubChem (CID 87665441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).