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

C6H4F3N3 — CID 20684993

IUPAC5-(2,2-difluoroethenyl)-3-(1-fluoroethenyl)-1H-1,2,4-triazole
SMILESC=C(F)c1n[nH]c(C=C(F)F)n1
InChIInChI=1S/C6H4F3N3/c1-3(7)6-10-5(11-12-6)2-4(8)9/h2H,1H2,(H,10,11,12)
InChIKeyXXSURIPZUSGJED-UHFFFAOYSA-N
MW175.11 g/mol
LogP1.98
Rot. Bonds2

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

5-(2,2-difluoroethenyl)-3-(1-fluoroethenyl)-1H-1,2,4-triazole (PubChem CID 20684993) has the molecular formula C6H4F3N3 and a molecular weight of 175.11 g/mol. Its IUPAC name is 5-(2,2-difluoroethenyl)-3-(1-fluoroethenyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(2,2-difluoroethenyl)-3-(1-fluoroethenyl)-1H-1,2,4-triazole
PubChem CID20684993
Molecular FormulaC6H4F3N3
Molecular Weight175.11 g/mol
Exact Mass175.04
IUPAC Name5-(2,2-difluoroethenyl)-3-(1-fluoroethenyl)-1H-1,2,4-triazole
SMILESC=C(F)c1n[nH]c(C=C(F)F)n1
InChIInChI=1S/C6H4F3N3/c1-3(7)6-10-5(11-12-6)2-4(8)9/h2H,1H2,(H,10,11,12)
InChIKeyXXSURIPZUSGJED-UHFFFAOYSA-N
XLogP1.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.11
LogP ≤ 51.98
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
5-(difluoromethyl)-3-ethyl-1H-1,2,4-triazole
CID 61278542
3-Ethyl-5-trifluoromethyl-1,2,4-triazole
CID 20592699
3-(1-fluoroethenyl)-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 20684992
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-Methyl-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole
CID 43166770
3-(1,2,2-trifluoroethenyl)-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 59878504
5-(2,2-difluoroethenyl)-3-(1,2,2-trifluoroethenyl)-1H-1,2,4-triazole
CID 59878505
5-(difluoromethyl)-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 68429696
3-(fluoromethyl)-5-methyl-1H-1,2,4-triazole
CID 88989737

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethenyl)-3-(1-fluoroethenyl)-1H-1,2,4-triazole?
The IUPAC name of 5-(2,2-difluoroethenyl)-3-(1-fluoroethenyl)-1H-1,2,4-triazole (CID 20684993) is 5-(2,2-difluoroethenyl)-3-(1-fluoroethenyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-(2,2-difluoroethenyl)-3-(1-fluoroethenyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-(2,2-difluoroethenyl)-3-(1-fluoroethenyl)-1H-1,2,4-triazole is C=C(F)c1n[nH]c(C=C(F)F)n1.
What is the InChIKey of 5-(2,2-difluoroethenyl)-3-(1-fluoroethenyl)-1H-1,2,4-triazole?
The InChIKey is XXSURIPZUSGJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3N3/c1-3(7)6-10-5(11-12-6)2-4(8)9/h2H,1H2,(H,10,11,12).
What are the key properties of 5-(2,2-difluoroethenyl)-3-(1-fluoroethenyl)-1H-1,2,4-triazole?
5-(2,2-difluoroethenyl)-3-(1-fluoroethenyl)-1H-1,2,4-triazole has a molecular weight of 175.11 g/mol, XLogP of 1.98, 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-fluoroethenyl)-1H-1,2,4-triazole is sourced from PubChem (CID 20684993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).