1-(1,2,2,2-tetrafluoroethyl)-1,2,4-triazole

C4H3F4N3 — CID 86033427

IUPAC1-(1,2,2,2-tetrafluoroethyl)-1,2,4-triazole
SMILESFC(n1cncn1)C(F)(F)F
InChIInChI=1S/C4H3F4N3/c5-3(4(6,7)8)11-2-9-1-10-11/h1-3H
InChIKeySJQKYMPDGUFNKE-UHFFFAOYSA-N
MW169.08 g/mol
LogP1.31
Rot. Bonds1

About 1-(1,2,2,2-tetrafluoroethyl)-1,2,4-triazole

1-(1,2,2,2-tetrafluoroethyl)-1,2,4-triazole (PubChem CID 86033427) has the molecular formula C4H3F4N3 and a molecular weight of 169.08 g/mol. Its IUPAC name is 1-(1,2,2,2-tetrafluoroethyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(1,2,2,2-tetrafluoroethyl)-1,2,4-triazole
PubChem CID86033427
Molecular FormulaC4H3F4N3
Molecular Weight169.08 g/mol
Exact Mass169.03
IUPAC Name1-(1,2,2,2-tetrafluoroethyl)-1,2,4-triazole
SMILESFC(n1cncn1)C(F)(F)F
InChIInChI=1S/C4H3F4N3/c5-3(4(6,7)8)11-2-9-1-10-11/h1-3H
InChIKeySJQKYMPDGUFNKE-UHFFFAOYSA-N
XLogP1.31
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.08
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,2,2-tetrafluoroethyl)-1,2,4-triazole?
The IUPAC name of 1-(1,2,2,2-tetrafluoroethyl)-1,2,4-triazole (CID 86033427) is 1-(1,2,2,2-tetrafluoroethyl)-1,2,4-triazole.
What is the SMILES notation for 1-(1,2,2,2-tetrafluoroethyl)-1,2,4-triazole?
The canonical SMILES for 1-(1,2,2,2-tetrafluoroethyl)-1,2,4-triazole is FC(n1cncn1)C(F)(F)F.
What is the InChIKey of 1-(1,2,2,2-tetrafluoroethyl)-1,2,4-triazole?
The InChIKey is SJQKYMPDGUFNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F4N3/c5-3(4(6,7)8)11-2-9-1-10-11/h1-3H.
What are the key properties of 1-(1,2,2,2-tetrafluoroethyl)-1,2,4-triazole?
1-(1,2,2,2-tetrafluoroethyl)-1,2,4-triazole has a molecular weight of 169.08 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,2,2-tetrafluoroethyl)-1,2,4-triazole is sourced from PubChem (CID 86033427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).