5-pentyl-5-(trifluoromethyl)tetrazole

C7H11F3N4 — CID 69381642

IUPAC5-pentyl-5-(trifluoromethyl)tetrazole
SMILESCCCCCC1(C(F)(F)F)N=NN=N1
InChIInChI=1S/C7H11F3N4/c1-2-3-4-5-6(7(8,9)10)11-13-14-12-6/h2-5H2,1H3
InChIKeyQPAARQRZFYBFFA-UHFFFAOYSA-N
MW208.19 g/mol
LogP3.66
Rot. Bonds4

About 5-pentyl-5-(trifluoromethyl)tetrazole

5-pentyl-5-(trifluoromethyl)tetrazole (PubChem CID 69381642) has the molecular formula C7H11F3N4 and a molecular weight of 208.19 g/mol. Its IUPAC name is 5-pentyl-5-(trifluoromethyl)tetrazole.

Molecular Properties

Compound Name5-pentyl-5-(trifluoromethyl)tetrazole
PubChem CID69381642
Molecular FormulaC7H11F3N4
Molecular Weight208.19 g/mol
Exact Mass208.09
IUPAC Name5-pentyl-5-(trifluoromethyl)tetrazole
SMILESCCCCCC1(C(F)(F)F)N=NN=N1
InChIInChI=1S/C7H11F3N4/c1-2-3-4-5-6(7(8,9)10)11-13-14-12-6/h2-5H2,1H3
InChIKeyQPAARQRZFYBFFA-UHFFFAOYSA-N
XLogP3.66
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-pentyl-5-(trifluoromethyl)tetrazole?
The IUPAC name of 5-pentyl-5-(trifluoromethyl)tetrazole (CID 69381642) is 5-pentyl-5-(trifluoromethyl)tetrazole.
What is the SMILES notation for 5-pentyl-5-(trifluoromethyl)tetrazole?
The canonical SMILES for 5-pentyl-5-(trifluoromethyl)tetrazole is CCCCCC1(C(F)(F)F)N=NN=N1.
What is the InChIKey of 5-pentyl-5-(trifluoromethyl)tetrazole?
The InChIKey is QPAARQRZFYBFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4/c1-2-3-4-5-6(7(8,9)10)11-13-14-12-6/h2-5H2,1H3.
What are the key properties of 5-pentyl-5-(trifluoromethyl)tetrazole?
5-pentyl-5-(trifluoromethyl)tetrazole has a molecular weight of 208.19 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentyl-5-(trifluoromethyl)tetrazole is sourced from PubChem (CID 69381642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).