5-tert-butyl-1-(2-fluoroethyl)tetrazole

C7H13FN4 — CID 59442728

IUPAC5-tert-butyl-1-(2-fluoroethyl)tetrazole
SMILESCC(C)(C)c1nnnn1CCF
InChIInChI=1S/C7H13FN4/c1-7(2,3)6-9-10-11-12(6)5-4-8/h4-5H2,1-3H3
InChIKeyQHIVCAKKMZMCDQ-UHFFFAOYSA-N
MW172.21 g/mol
LogP0.94
Rot. Bonds2

About 5-tert-butyl-1-(2-fluoroethyl)tetrazole

5-tert-butyl-1-(2-fluoroethyl)tetrazole (PubChem CID 59442728) has the molecular formula C7H13FN4 and a molecular weight of 172.21 g/mol. Its IUPAC name is 5-tert-butyl-1-(2-fluoroethyl)tetrazole.

Molecular Properties

Compound Name5-tert-butyl-1-(2-fluoroethyl)tetrazole
PubChem CID59442728
Molecular FormulaC7H13FN4
Molecular Weight172.21 g/mol
Exact Mass172.11
IUPAC Name5-tert-butyl-1-(2-fluoroethyl)tetrazole
SMILESCC(C)(C)c1nnnn1CCF
InChIInChI=1S/C7H13FN4/c1-7(2,3)6-9-10-11-12(6)5-4-8/h4-5H2,1-3H3
InChIKeyQHIVCAKKMZMCDQ-UHFFFAOYSA-N
XLogP0.94
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-(2-fluoroethyl)tetrazole?
The IUPAC name of 5-tert-butyl-1-(2-fluoroethyl)tetrazole (CID 59442728) is 5-tert-butyl-1-(2-fluoroethyl)tetrazole.
What is the SMILES notation for 5-tert-butyl-1-(2-fluoroethyl)tetrazole?
The canonical SMILES for 5-tert-butyl-1-(2-fluoroethyl)tetrazole is CC(C)(C)c1nnnn1CCF.
What is the InChIKey of 5-tert-butyl-1-(2-fluoroethyl)tetrazole?
The InChIKey is QHIVCAKKMZMCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN4/c1-7(2,3)6-9-10-11-12(6)5-4-8/h4-5H2,1-3H3.
What are the key properties of 5-tert-butyl-1-(2-fluoroethyl)tetrazole?
5-tert-butyl-1-(2-fluoroethyl)tetrazole has a molecular weight of 172.21 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-(2-fluoroethyl)tetrazole is sourced from PubChem (CID 59442728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).