5-(1,2,2,3,3-pentafluoropropyl)-1H-1,2,4-triazole

C5H4F5N3 — CID 87848138

IUPAC5-(1,2,2,3,3-pentafluoropropyl)-1H-1,2,4-triazole
SMILESFC(F)C(F)(F)C(F)c1ncn[nH]1
InChIInChI=1S/C5H4F5N3/c6-2(3-11-1-12-13-3)5(9,10)4(7)8/h1-2,4H,(H,11,12,13)
InChIKeyXYGIUYSBVHKTAZ-UHFFFAOYSA-N
MW201.10 g/mol
LogP1.72
Rot. Bonds3

About 5-(1,2,2,3,3-pentafluoropropyl)-1H-1,2,4-triazole

5-(1,2,2,3,3-pentafluoropropyl)-1H-1,2,4-triazole (PubChem CID 87848138) has the molecular formula C5H4F5N3 and a molecular weight of 201.10 g/mol. Its IUPAC name is 5-(1,2,2,3,3-pentafluoropropyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(1,2,2,3,3-pentafluoropropyl)-1H-1,2,4-triazole
PubChem CID87848138
Molecular FormulaC5H4F5N3
Molecular Weight201.10 g/mol
Exact Mass201.03
IUPAC Name5-(1,2,2,3,3-pentafluoropropyl)-1H-1,2,4-triazole
SMILESFC(F)C(F)(F)C(F)c1ncn[nH]1
InChIInChI=1S/C5H4F5N3/c6-2(3-11-1-12-13-3)5(9,10)4(7)8/h1-2,4H,(H,11,12,13)
InChIKeyXYGIUYSBVHKTAZ-UHFFFAOYSA-N
XLogP1.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.10
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1,2,2,3,3-pentafluoropropyl)-1H-1,2,4-triazole?
The IUPAC name of 5-(1,2,2,3,3-pentafluoropropyl)-1H-1,2,4-triazole (CID 87848138) is 5-(1,2,2,3,3-pentafluoropropyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-(1,2,2,3,3-pentafluoropropyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-(1,2,2,3,3-pentafluoropropyl)-1H-1,2,4-triazole is FC(F)C(F)(F)C(F)c1ncn[nH]1.
What is the InChIKey of 5-(1,2,2,3,3-pentafluoropropyl)-1H-1,2,4-triazole?
The InChIKey is XYGIUYSBVHKTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F5N3/c6-2(3-11-1-12-13-3)5(9,10)4(7)8/h1-2,4H,(H,11,12,13).
What are the key properties of 5-(1,2,2,3,3-pentafluoropropyl)-1H-1,2,4-triazole?
5-(1,2,2,3,3-pentafluoropropyl)-1H-1,2,4-triazole has a molecular weight of 201.10 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,2,3,3-pentafluoropropyl)-1H-1,2,4-triazole is sourced from PubChem (CID 87848138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).