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

C4H5F2N3 — CID 18406943

IUPAC1-(2,2-difluoroethyl)-1,2,4-triazole
SMILESFC(F)Cn1cncn1
InChIInChI=1S/C4H5F2N3/c5-4(6)1-9-3-7-2-8-9/h2-4H,1H2
InChIKeyKCGWXYSJUZTOCO-UHFFFAOYSA-N
MW133.10 g/mol
LogP0.54
Rot. Bonds2

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

1-(2,2-difluoroethyl)-1,2,4-triazole (PubChem CID 18406943) has the molecular formula C4H5F2N3 and a molecular weight of 133.10 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-1,2,4-triazole
PubChem CID18406943
Molecular FormulaC4H5F2N3
Molecular Weight133.10 g/mol
Exact Mass133.05
IUPAC Name1-(2,2-difluoroethyl)-1,2,4-triazole
SMILESFC(F)Cn1cncn1
InChIInChI=1S/C4H5F2N3/c5-4(6)1-9-3-7-2-8-9/h2-4H,1H2
InChIKeyKCGWXYSJUZTOCO-UHFFFAOYSA-N
XLogP0.54
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.10
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-1,2,4-triazol-1-yl)acetonitrile
CID 2764838
5-Bromo-1-Ethyl-1H-1,2,4-Triazole
CID 590265
1-Ethyl-1,2,4-triazole
CID 519305
1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-amine
CID 19622865
1-(2-iodoethyl)-1H-1,2,4-triazole
CID 68209661
4-Methyl-1-(3,3,3-trifluoropropyl)-1,2,4-triazol-4-ium
CID 156600070
1-Propyl-4-(3,3,3-trifluoropropyl)-1,2,4-triazol-4-ium
CID 156600083
4-Butyl-1-(3,3,3-trifluoropropyl)-1,2,4-triazol-4-ium
CID 156600088
1-Methyl-4-(3,3,3-trifluoropropyl)-1,2,4-triazol-4-ium iodide
CID 11141311
1-(1,1,2,2-Tetrafluoroethyl)-1,2,4-triazole
CID 24880355
4-(2'-Fluoroethyl)-4h-1,2,4-triazole
CID 129731804
N-(2-bromotetrafluoroethyl)-1,2,4-triazole
CID 129862123

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-1,2,4-triazole?
The IUPAC name of 1-(2,2-difluoroethyl)-1,2,4-triazole (CID 18406943) is 1-(2,2-difluoroethyl)-1,2,4-triazole.
What is the SMILES notation for 1-(2,2-difluoroethyl)-1,2,4-triazole?
The canonical SMILES for 1-(2,2-difluoroethyl)-1,2,4-triazole is FC(F)Cn1cncn1.
What is the InChIKey of 1-(2,2-difluoroethyl)-1,2,4-triazole?
The InChIKey is KCGWXYSJUZTOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F2N3/c5-4(6)1-9-3-7-2-8-9/h2-4H,1H2.
What are the key properties of 1-(2,2-difluoroethyl)-1,2,4-triazole?
1-(2,2-difluoroethyl)-1,2,4-triazole has a molecular weight of 133.10 g/mol, XLogP of 0.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-1,2,4-triazole is sourced from PubChem (CID 18406943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).