2-(2,2-dimethylpropyl)-5-(trifluoromethyl)tetrazole

C7H11F3N4 — CID 69034331

IUPAC2-(2,2-dimethylpropyl)-5-(trifluoromethyl)tetrazole
SMILESCC(C)(C)Cn1nnc(C(F)(F)F)n1
InChIInChI=1S/C7H11F3N4/c1-6(2,3)4-14-12-5(11-13-14)7(8,9)10/h4H2,1-3H3
InChIKeyGNSGMRPKRIRZKC-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.74
Rot. Bonds1

About 2-(2,2-dimethylpropyl)-5-(trifluoromethyl)tetrazole

2-(2,2-dimethylpropyl)-5-(trifluoromethyl)tetrazole (PubChem CID 69034331) has the molecular formula C7H11F3N4 and a molecular weight of 208.19 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-5-(trifluoromethyl)tetrazole.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-5-(trifluoromethyl)tetrazole
PubChem CID69034331
Molecular FormulaC7H11F3N4
Molecular Weight208.19 g/mol
Exact Mass208.09
IUPAC Name2-(2,2-dimethylpropyl)-5-(trifluoromethyl)tetrazole
SMILESCC(C)(C)Cn1nnc(C(F)(F)F)n1
InChIInChI=1S/C7H11F3N4/c1-6(2,3)4-14-12-5(11-13-14)7(8,9)10/h4H2,1-3H3
InChIKeyGNSGMRPKRIRZKC-UHFFFAOYSA-N
XLogP1.74
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-5-(trifluoromethyl)tetrazole?
The IUPAC name of 2-(2,2-dimethylpropyl)-5-(trifluoromethyl)tetrazole (CID 69034331) is 2-(2,2-dimethylpropyl)-5-(trifluoromethyl)tetrazole.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-5-(trifluoromethyl)tetrazole?
The canonical SMILES for 2-(2,2-dimethylpropyl)-5-(trifluoromethyl)tetrazole is CC(C)(C)Cn1nnc(C(F)(F)F)n1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-5-(trifluoromethyl)tetrazole?
The InChIKey is GNSGMRPKRIRZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4/c1-6(2,3)4-14-12-5(11-13-14)7(8,9)10/h4H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)-5-(trifluoromethyl)tetrazole?
2-(2,2-dimethylpropyl)-5-(trifluoromethyl)tetrazole has a molecular weight of 208.19 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-5-(trifluoromethyl)tetrazole is sourced from PubChem (CID 69034331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).