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

C5H3F6N3 — CID 58361917

IUPAC3-fluoro-5-(1,1,2,2,3-pentafluoropropyl)-1H-1,2,4-triazole
SMILESFCC(F)(F)C(F)(F)c1nc(F)n[nH]1
InChIInChI=1S/C5H3F6N3/c6-1-4(8,9)5(10,11)2-12-3(7)14-13-2/h1H2,(H,12,13,14)
InChIKeyZABHCDVMPKKWDU-UHFFFAOYSA-N
MW219.09 g/mol
LogP1.64
Rot. Bonds3

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

3-fluoro-5-(1,1,2,2,3-pentafluoropropyl)-1H-1,2,4-triazole (PubChem CID 58361917) has the molecular formula C5H3F6N3 and a molecular weight of 219.09 g/mol. Its IUPAC name is 3-fluoro-5-(1,1,2,2,3-pentafluoropropyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-fluoro-5-(1,1,2,2,3-pentafluoropropyl)-1H-1,2,4-triazole
PubChem CID58361917
Molecular FormulaC5H3F6N3
Molecular Weight219.09 g/mol
Exact Mass219.02
IUPAC Name3-fluoro-5-(1,1,2,2,3-pentafluoropropyl)-1H-1,2,4-triazole
SMILESFCC(F)(F)C(F)(F)c1nc(F)n[nH]1
InChIInChI=1S/C5H3F6N3/c6-1-4(8,9)5(10,11)2-12-3(7)14-13-2/h1H2,(H,12,13,14)
InChIKeyZABHCDVMPKKWDU-UHFFFAOYSA-N
XLogP1.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.09
LogP ≤ 51.64
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 3-fluoro-5-(1,1,2,2,3-pentafluoropropyl)-1H-1,2,4-triazole?
The IUPAC name of 3-fluoro-5-(1,1,2,2,3-pentafluoropropyl)-1H-1,2,4-triazole (CID 58361917) is 3-fluoro-5-(1,1,2,2,3-pentafluoropropyl)-1H-1,2,4-triazole.
What is the SMILES notation for 3-fluoro-5-(1,1,2,2,3-pentafluoropropyl)-1H-1,2,4-triazole?
The canonical SMILES for 3-fluoro-5-(1,1,2,2,3-pentafluoropropyl)-1H-1,2,4-triazole is FCC(F)(F)C(F)(F)c1nc(F)n[nH]1.
What is the InChIKey of 3-fluoro-5-(1,1,2,2,3-pentafluoropropyl)-1H-1,2,4-triazole?
The InChIKey is ZABHCDVMPKKWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F6N3/c6-1-4(8,9)5(10,11)2-12-3(7)14-13-2/h1H2,(H,12,13,14).
What are the key properties of 3-fluoro-5-(1,1,2,2,3-pentafluoropropyl)-1H-1,2,4-triazole?
3-fluoro-5-(1,1,2,2,3-pentafluoropropyl)-1H-1,2,4-triazole has a molecular weight of 219.09 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(1,1,2,2,3-pentafluoropropyl)-1H-1,2,4-triazole is sourced from PubChem (CID 58361917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).