2-pentyl-5-(trifluoromethyl)tetrazole

C7H11F3N4 — CID 69030920

IUPAC2-pentyl-5-(trifluoromethyl)tetrazole
SMILESCCCCCn1nnc(C(F)(F)F)n1
InChIInChI=1S/C7H11F3N4/c1-2-3-4-5-14-12-6(11-13-14)7(8,9)10/h2-5H2,1H3
InChIKeyQCWSZGYAVZCSKB-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.88
Rot. Bonds4

About 2-pentyl-5-(trifluoromethyl)tetrazole

2-pentyl-5-(trifluoromethyl)tetrazole (PubChem CID 69030920) has the molecular formula C7H11F3N4 and a molecular weight of 208.19 g/mol. Its IUPAC name is 2-pentyl-5-(trifluoromethyl)tetrazole.

Molecular Properties

Compound Name2-pentyl-5-(trifluoromethyl)tetrazole
PubChem CID69030920
Molecular FormulaC7H11F3N4
Molecular Weight208.19 g/mol
Exact Mass208.09
IUPAC Name2-pentyl-5-(trifluoromethyl)tetrazole
SMILESCCCCCn1nnc(C(F)(F)F)n1
InChIInChI=1S/C7H11F3N4/c1-2-3-4-5-14-12-6(11-13-14)7(8,9)10/h2-5H2,1H3
InChIKeyQCWSZGYAVZCSKB-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 2-pentyl-5-(trifluoromethyl)tetrazole?
The IUPAC name of 2-pentyl-5-(trifluoromethyl)tetrazole (CID 69030920) is 2-pentyl-5-(trifluoromethyl)tetrazole.
What is the SMILES notation for 2-pentyl-5-(trifluoromethyl)tetrazole?
The canonical SMILES for 2-pentyl-5-(trifluoromethyl)tetrazole is CCCCCn1nnc(C(F)(F)F)n1.
What is the InChIKey of 2-pentyl-5-(trifluoromethyl)tetrazole?
The InChIKey is QCWSZGYAVZCSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4/c1-2-3-4-5-14-12-6(11-13-14)7(8,9)10/h2-5H2,1H3.
What are the key properties of 2-pentyl-5-(trifluoromethyl)tetrazole?
2-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 2-pentyl-5-(trifluoromethyl)tetrazole is sourced from PubChem (CID 69030920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).