1-(1,1,2,3,3,3-hexafluoropropyl)-1,2,4-triazole

C5H3F6N3 — CID 24880356

IUPAC1-(1,1,2,3,3,3-hexafluoropropyl)-1,2,4-triazole
SMILESFC(C(F)(F)F)C(F)(F)n1cncn1
InChIInChI=1S/C5H3F6N3/c6-3(4(7,8)9)5(10,11)14-2-12-1-13-14/h1-3H
InChIKeyOSWSOTFXFCBUIV-UHFFFAOYSA-N
MW219.09 g/mol
LogP1.73
Rot. Bonds2

About 1-(1,1,2,3,3,3-hexafluoropropyl)-1,2,4-triazole

1-(1,1,2,3,3,3-hexafluoropropyl)-1,2,4-triazole (PubChem CID 24880356) has the molecular formula C5H3F6N3 and a molecular weight of 219.09 g/mol. Its IUPAC name is 1-(1,1,2,3,3,3-hexafluoropropyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(1,1,2,3,3,3-hexafluoropropyl)-1,2,4-triazole
PubChem CID24880356
Molecular FormulaC5H3F6N3
Molecular Weight219.09 g/mol
Exact Mass219.02
IUPAC Name1-(1,1,2,3,3,3-hexafluoropropyl)-1,2,4-triazole
SMILESFC(C(F)(F)F)C(F)(F)n1cncn1
InChIInChI=1S/C5H3F6N3/c6-3(4(7,8)9)5(10,11)14-2-12-1-13-14/h1-3H
InChIKeyOSWSOTFXFCBUIV-UHFFFAOYSA-N
XLogP1.73
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.09
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,3,3,3-hexafluoropropyl)-1,2,4-triazole?
The IUPAC name of 1-(1,1,2,3,3,3-hexafluoropropyl)-1,2,4-triazole (CID 24880356) is 1-(1,1,2,3,3,3-hexafluoropropyl)-1,2,4-triazole.
What is the SMILES notation for 1-(1,1,2,3,3,3-hexafluoropropyl)-1,2,4-triazole?
The canonical SMILES for 1-(1,1,2,3,3,3-hexafluoropropyl)-1,2,4-triazole is FC(C(F)(F)F)C(F)(F)n1cncn1.
What is the InChIKey of 1-(1,1,2,3,3,3-hexafluoropropyl)-1,2,4-triazole?
The InChIKey is OSWSOTFXFCBUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F6N3/c6-3(4(7,8)9)5(10,11)14-2-12-1-13-14/h1-3H.
What are the key properties of 1-(1,1,2,3,3,3-hexafluoropropyl)-1,2,4-triazole?
1-(1,1,2,3,3,3-hexafluoropropyl)-1,2,4-triazole has a molecular weight of 219.09 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,3,3,3-hexafluoropropyl)-1,2,4-triazole is sourced from PubChem (CID 24880356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).