1-pentyl-5-(trifluoromethyl)tetrazole

C7H11F3N4 — CID 12513254

IUPAC1-pentyl-5-(trifluoromethyl)tetrazole
SMILESCCCCCn1nnnc1C(F)(F)F
InChIInChI=1S/C7H11F3N4/c1-2-3-4-5-14-6(7(8,9)10)11-12-13-14/h2-5H2,1H3
InChIKeyQUBLBVYJVQKINF-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.88
Rot. Bonds4

About 1-pentyl-5-(trifluoromethyl)tetrazole

1-pentyl-5-(trifluoromethyl)tetrazole (PubChem CID 12513254) has the molecular formula C7H11F3N4 and a molecular weight of 208.19 g/mol. Its IUPAC name is 1-pentyl-5-(trifluoromethyl)tetrazole.

Molecular Properties

Compound Name1-pentyl-5-(trifluoromethyl)tetrazole
PubChem CID12513254
Molecular FormulaC7H11F3N4
Molecular Weight208.19 g/mol
Exact Mass208.09
IUPAC Name1-pentyl-5-(trifluoromethyl)tetrazole
SMILESCCCCCn1nnnc1C(F)(F)F
InChIInChI=1S/C7H11F3N4/c1-2-3-4-5-14-6(7(8,9)10)11-12-13-14/h2-5H2,1H3
InChIKeyQUBLBVYJVQKINF-UHFFFAOYSA-N
XLogP1.88
TPSA43.60 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 ≤ 51.88
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 1-pentyl-5-(trifluoromethyl)tetrazole?
The IUPAC name of 1-pentyl-5-(trifluoromethyl)tetrazole (CID 12513254) is 1-pentyl-5-(trifluoromethyl)tetrazole.
What is the SMILES notation for 1-pentyl-5-(trifluoromethyl)tetrazole?
The canonical SMILES for 1-pentyl-5-(trifluoromethyl)tetrazole is CCCCCn1nnnc1C(F)(F)F.
What is the InChIKey of 1-pentyl-5-(trifluoromethyl)tetrazole?
The InChIKey is QUBLBVYJVQKINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4/c1-2-3-4-5-14-6(7(8,9)10)11-12-13-14/h2-5H2,1H3.
What are the key properties of 1-pentyl-5-(trifluoromethyl)tetrazole?
1-pentyl-5-(trifluoromethyl)tetrazole has a molecular weight of 208.19 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-5-(trifluoromethyl)tetrazole is sourced from PubChem (CID 12513254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).