2-butyl-5-(trifluoromethyl)tetrazole

C6H9F3N4 — CID 69031619

IUPAC2-butyl-5-(trifluoromethyl)tetrazole
SMILESCCCCn1nnc(C(F)(F)F)n1
InChIInChI=1S/C6H9F3N4/c1-2-3-4-13-11-5(10-12-13)6(7,8)9/h2-4H2,1H3
InChIKeyNYBWBYFUNUZPPV-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.49
Rot. Bonds3

About 2-butyl-5-(trifluoromethyl)tetrazole

2-butyl-5-(trifluoromethyl)tetrazole (PubChem CID 69031619) has the molecular formula C6H9F3N4 and a molecular weight of 194.16 g/mol. Its IUPAC name is 2-butyl-5-(trifluoromethyl)tetrazole.

Molecular Properties

Compound Name2-butyl-5-(trifluoromethyl)tetrazole
PubChem CID69031619
Molecular FormulaC6H9F3N4
Molecular Weight194.16 g/mol
Exact Mass194.08
IUPAC Name2-butyl-5-(trifluoromethyl)tetrazole
SMILESCCCCn1nnc(C(F)(F)F)n1
InChIInChI=1S/C6H9F3N4/c1-2-3-4-13-11-5(10-12-13)6(7,8)9/h2-4H2,1H3
InChIKeyNYBWBYFUNUZPPV-UHFFFAOYSA-N
XLogP1.49
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-(trifluoromethyl)tetrazole?
The IUPAC name of 2-butyl-5-(trifluoromethyl)tetrazole (CID 69031619) is 2-butyl-5-(trifluoromethyl)tetrazole.
What is the SMILES notation for 2-butyl-5-(trifluoromethyl)tetrazole?
The canonical SMILES for 2-butyl-5-(trifluoromethyl)tetrazole is CCCCn1nnc(C(F)(F)F)n1.
What is the InChIKey of 2-butyl-5-(trifluoromethyl)tetrazole?
The InChIKey is NYBWBYFUNUZPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N4/c1-2-3-4-13-11-5(10-12-13)6(7,8)9/h2-4H2,1H3.
What are the key properties of 2-butyl-5-(trifluoromethyl)tetrazole?
2-butyl-5-(trifluoromethyl)tetrazole has a molecular weight of 194.16 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-(trifluoromethyl)tetrazole is sourced from PubChem (CID 69031619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).