2-tert-butyl-5-(difluoromethyl)tetrazole

C6H10F2N4 — CID 167408157

IUPAC2-tert-butyl-5-(difluoromethyl)tetrazole
SMILESCC(C)(C)n1nnc(C(F)F)n1
InChIInChI=1S/C6H10F2N4/c1-6(2,3)12-10-5(4(7)8)9-11-12/h4H,1-3H3
InChIKeyHGZLDDGQOFBRCU-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.37
Rot. Bonds1

About 2-tert-butyl-5-(difluoromethyl)tetrazole

2-tert-butyl-5-(difluoromethyl)tetrazole (PubChem CID 167408157) has the molecular formula C6H10F2N4 and a molecular weight of 176.17 g/mol. Its IUPAC name is 2-tert-butyl-5-(difluoromethyl)tetrazole.

Molecular Properties

Compound Name2-tert-butyl-5-(difluoromethyl)tetrazole
PubChem CID167408157
Molecular FormulaC6H10F2N4
Molecular Weight176.17 g/mol
Exact Mass176.09
IUPAC Name2-tert-butyl-5-(difluoromethyl)tetrazole
SMILESCC(C)(C)n1nnc(C(F)F)n1
InChIInChI=1S/C6H10F2N4/c1-6(2,3)12-10-5(4(7)8)9-11-12/h4H,1-3H3
InChIKeyHGZLDDGQOFBRCU-UHFFFAOYSA-N
XLogP1.37
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(difluoromethyl)tetrazole?
The IUPAC name of 2-tert-butyl-5-(difluoromethyl)tetrazole (CID 167408157) is 2-tert-butyl-5-(difluoromethyl)tetrazole.
What is the SMILES notation for 2-tert-butyl-5-(difluoromethyl)tetrazole?
The canonical SMILES for 2-tert-butyl-5-(difluoromethyl)tetrazole is CC(C)(C)n1nnc(C(F)F)n1.
What is the InChIKey of 2-tert-butyl-5-(difluoromethyl)tetrazole?
The InChIKey is HGZLDDGQOFBRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N4/c1-6(2,3)12-10-5(4(7)8)9-11-12/h4H,1-3H3.
What are the key properties of 2-tert-butyl-5-(difluoromethyl)tetrazole?
2-tert-butyl-5-(difluoromethyl)tetrazole has a molecular weight of 176.17 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(difluoromethyl)tetrazole is sourced from PubChem (CID 167408157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).