5-(2,2-difluoroethenyl)-3-(1,2,2-trifluoroethenyl)-1H-1,2,4-triazole

C6H2F5N3 — CID 59878505

IUPAC5-(2,2-difluoroethenyl)-3-(1,2,2-trifluoroethenyl)-1H-1,2,4-triazole
SMILESFC(F)=Cc1nc(C(F)=C(F)F)n[nH]1
InChIInChI=1S/C6H2F5N3/c7-2(8)1-3-12-6(14-13-3)4(9)5(10)11/h1H,(H,12,13,14)
InChIKeyVEWHUUBNLJYEEZ-UHFFFAOYSA-N
MW211.09 g/mol
LogP2.58
Rot. Bonds2

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

5-(2,2-difluoroethenyl)-3-(1,2,2-trifluoroethenyl)-1H-1,2,4-triazole (PubChem CID 59878505) has the molecular formula C6H2F5N3 and a molecular weight of 211.09 g/mol. Its IUPAC name is 5-(2,2-difluoroethenyl)-3-(1,2,2-trifluoroethenyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(2,2-difluoroethenyl)-3-(1,2,2-trifluoroethenyl)-1H-1,2,4-triazole
PubChem CID59878505
Molecular FormulaC6H2F5N3
Molecular Weight211.09 g/mol
Exact Mass211.02
IUPAC Name5-(2,2-difluoroethenyl)-3-(1,2,2-trifluoroethenyl)-1H-1,2,4-triazole
SMILESFC(F)=Cc1nc(C(F)=C(F)F)n[nH]1
InChIInChI=1S/C6H2F5N3/c7-2(8)1-3-12-6(14-13-3)4(9)5(10)11/h1H,(H,12,13,14)
InChIKeyVEWHUUBNLJYEEZ-UHFFFAOYSA-N
XLogP2.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.09
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 2783212
5-(difluoromethyl)-3-methyl-1H-1,2,4-triazole
CID 43166739
3-(1-fluoroethenyl)-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 20684992
5-(2,2-difluoroethenyl)-3-(1-fluoroethenyl)-1H-1,2,4-triazole
CID 20684993
5-(2,2-difluoroethenyl)-3-(1-fluoroethenoxy)-1H-1,2,4-triazole
CID 21134653
3-(2,2-difluoroethenyl)-5-fluoro-1H-1,2,4-triazole
CID 22956415
3-(1,1,2,2-tetrafluoroethyl)-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 58370464
3,5-bis(1,1,2,2-tetrafluoroethyl)-1H-1,2,4-triazole
CID 58370560
3-(1,2,2-trifluoroethenyl)-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 59878504
5-(difluoromethyl)-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 68429696
3,5-bis(1,2,2-trifluoroethenyl)-1H-1,2,4-triazole
CID 89333930
ethene;3-fluoro-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 90743890

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethenyl)-3-(1,2,2-trifluoroethenyl)-1H-1,2,4-triazole?
The IUPAC name of 5-(2,2-difluoroethenyl)-3-(1,2,2-trifluoroethenyl)-1H-1,2,4-triazole (CID 59878505) is 5-(2,2-difluoroethenyl)-3-(1,2,2-trifluoroethenyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-(2,2-difluoroethenyl)-3-(1,2,2-trifluoroethenyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-(2,2-difluoroethenyl)-3-(1,2,2-trifluoroethenyl)-1H-1,2,4-triazole is FC(F)=Cc1nc(C(F)=C(F)F)n[nH]1.
What is the InChIKey of 5-(2,2-difluoroethenyl)-3-(1,2,2-trifluoroethenyl)-1H-1,2,4-triazole?
The InChIKey is VEWHUUBNLJYEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F5N3/c7-2(8)1-3-12-6(14-13-3)4(9)5(10)11/h1H,(H,12,13,14).
What are the key properties of 5-(2,2-difluoroethenyl)-3-(1,2,2-trifluoroethenyl)-1H-1,2,4-triazole?
5-(2,2-difluoroethenyl)-3-(1,2,2-trifluoroethenyl)-1H-1,2,4-triazole has a molecular weight of 211.09 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethenyl)-3-(1,2,2-trifluoroethenyl)-1H-1,2,4-triazole is sourced from PubChem (CID 59878505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).