5-hexyl-2-(trifluoromethyl)tetrazole

C8H13F3N4 — CID 69032079

IUPAC5-hexyl-2-(trifluoromethyl)tetrazole
SMILESCCCCCCc1nnn(C(F)(F)F)n1
InChIInChI=1S/C8H13F3N4/c1-2-3-4-5-6-7-12-14-15(13-7)8(9,10)11/h2-6H2,1H3
InChIKeyCURNJSBUDYIXHS-UHFFFAOYSA-N
MW222.21 g/mol
LogP2.27
Rot. Bonds5

About 5-hexyl-2-(trifluoromethyl)tetrazole

5-hexyl-2-(trifluoromethyl)tetrazole (PubChem CID 69032079) has the molecular formula C8H13F3N4 and a molecular weight of 222.21 g/mol. Its IUPAC name is 5-hexyl-2-(trifluoromethyl)tetrazole.

Molecular Properties

Compound Name5-hexyl-2-(trifluoromethyl)tetrazole
PubChem CID69032079
Molecular FormulaC8H13F3N4
Molecular Weight222.21 g/mol
Exact Mass222.11
IUPAC Name5-hexyl-2-(trifluoromethyl)tetrazole
SMILESCCCCCCc1nnn(C(F)(F)F)n1
InChIInChI=1S/C8H13F3N4/c1-2-3-4-5-6-7-12-14-15(13-7)8(9,10)11/h2-6H2,1H3
InChIKeyCURNJSBUDYIXHS-UHFFFAOYSA-N
XLogP2.27
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 52.27
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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Related Compounds

2-(5-dodecyltetrazol-2-yl)-2-methylpropanoate
CID 21469547
2-fluoro-5-pentyltetrazole
CID 69031362
2-(2,2-dimethylpropyl)-5-hexyltetrazole
CID 69030471
5-pentyltetrazole-2-carbonitrile
CID 69030724
5-butyl-2-methyltetrazole;ethane
CID 144800630
tributyl-[5-[6-(2-tributylstannyltetrazol-5-yl)hexyl]tetrazol-2-yl]stannane
CID 177385482
3-(5-decyltetrazol-2-yl)propyl-triethoxysilane
CID 142547971
2-(5-dodecyltetrazol-2-yl)heptanoic acid
CID 21469507
2-butyl-4,6-di(nonyl)-1,3,5-triazine
CID 91505211
2-nonan-2-yl-5-propyltetrazole
CID 177419840
2-butyl-5-propyltetrazole
CID 69034353
5-hexyl-1-(1,1,2,2,2-pentafluoroethyl)tetrazole
CID 87665284

Frequently Asked Questions

What is the IUPAC name of 5-hexyl-2-(trifluoromethyl)tetrazole?
The IUPAC name of 5-hexyl-2-(trifluoromethyl)tetrazole (CID 69032079) is 5-hexyl-2-(trifluoromethyl)tetrazole.
What is the SMILES notation for 5-hexyl-2-(trifluoromethyl)tetrazole?
The canonical SMILES for 5-hexyl-2-(trifluoromethyl)tetrazole is CCCCCCc1nnn(C(F)(F)F)n1.
What is the InChIKey of 5-hexyl-2-(trifluoromethyl)tetrazole?
The InChIKey is CURNJSBUDYIXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N4/c1-2-3-4-5-6-7-12-14-15(13-7)8(9,10)11/h2-6H2,1H3.
What are the key properties of 5-hexyl-2-(trifluoromethyl)tetrazole?
5-hexyl-2-(trifluoromethyl)tetrazole has a molecular weight of 222.21 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-2-(trifluoromethyl)tetrazole is sourced from PubChem (CID 69032079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).