2-propyl-5-(trifluoromethyl)tetrazole

C5H7F3N4 — CID 69031487

IUPAC2-propyl-5-(trifluoromethyl)tetrazole
SMILESCCCn1nnc(C(F)(F)F)n1
InChIInChI=1S/C5H7F3N4/c1-2-3-12-10-4(9-11-12)5(6,7)8/h2-3H2,1H3
InChIKeyYRXKITCWUFHMDH-UHFFFAOYSA-N
MW180.13 g/mol
LogP1.10
Rot. Bonds2

About 2-propyl-5-(trifluoromethyl)tetrazole

2-propyl-5-(trifluoromethyl)tetrazole (PubChem CID 69031487) has the molecular formula C5H7F3N4 and a molecular weight of 180.13 g/mol. Its IUPAC name is 2-propyl-5-(trifluoromethyl)tetrazole.

Molecular Properties

Compound Name2-propyl-5-(trifluoromethyl)tetrazole
PubChem CID69031487
Molecular FormulaC5H7F3N4
Molecular Weight180.13 g/mol
Exact Mass180.06
IUPAC Name2-propyl-5-(trifluoromethyl)tetrazole
SMILESCCCn1nnc(C(F)(F)F)n1
InChIInChI=1S/C5H7F3N4/c1-2-3-12-10-4(9-11-12)5(6,7)8/h2-3H2,1H3
InChIKeyYRXKITCWUFHMDH-UHFFFAOYSA-N
XLogP1.10
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-5-(trifluoromethyl)tetrazole?
The IUPAC name of 2-propyl-5-(trifluoromethyl)tetrazole (CID 69031487) is 2-propyl-5-(trifluoromethyl)tetrazole.
What is the SMILES notation for 2-propyl-5-(trifluoromethyl)tetrazole?
The canonical SMILES for 2-propyl-5-(trifluoromethyl)tetrazole is CCCn1nnc(C(F)(F)F)n1.
What is the InChIKey of 2-propyl-5-(trifluoromethyl)tetrazole?
The InChIKey is YRXKITCWUFHMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N4/c1-2-3-12-10-4(9-11-12)5(6,7)8/h2-3H2,1H3.
What are the key properties of 2-propyl-5-(trifluoromethyl)tetrazole?
2-propyl-5-(trifluoromethyl)tetrazole has a molecular weight of 180.13 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-5-(trifluoromethyl)tetrazole is sourced from PubChem (CID 69031487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).