1,1-difluoroethene;3-(2,2-difluoroethenyl)-5-fluoro-1H-1,2,4-triazole

C6H4F5N3 — CID 91107740

IUPAC1,1-difluoroethene;3-(2,2-difluoroethenyl)-5-fluoro-1H-1,2,4-triazole
SMILESC=C(F)F.FC(F)=Cc1n[nH]c(F)n1
InChIInChI=1S/C4H2F3N3.C2H2F2/c5-2(6)1-3-8-4(7)10-9-3;1-2(3)4/h1H,(H,8,9,10);1H2
InChIKeyJJIQDVMLVNXCOR-UHFFFAOYSA-N
MW213.11 g/mol
LogP2.58
Rot. Bonds1

About 1,1-difluoroethene;3-(2,2-difluoroethenyl)-5-fluoro-1H-1,2,4-triazole

1,1-difluoroethene;3-(2,2-difluoroethenyl)-5-fluoro-1H-1,2,4-triazole (PubChem CID 91107740) has the molecular formula C6H4F5N3 and a molecular weight of 213.11 g/mol. Its IUPAC name is 1,1-difluoroethene;3-(2,2-difluoroethenyl)-5-fluoro-1H-1,2,4-triazole.

Molecular Properties

Compound Name1,1-difluoroethene;3-(2,2-difluoroethenyl)-5-fluoro-1H-1,2,4-triazole
PubChem CID91107740
Molecular FormulaC6H4F5N3
Molecular Weight213.11 g/mol
Exact Mass213.03
IUPAC Name1,1-difluoroethene;3-(2,2-difluoroethenyl)-5-fluoro-1H-1,2,4-triazole
SMILESC=C(F)F.FC(F)=Cc1n[nH]c(F)n1
InChIInChI=1S/C4H2F3N3.C2H2F2/c5-2(6)1-3-8-4(7)10-9-3;1-2(3)4/h1H,(H,8,9,10);1H2
InChIKeyJJIQDVMLVNXCOR-UHFFFAOYSA-N
XLogP2.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.11
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,1-difluoroethene;3-(2,2-difluoroethenyl)-5-fluoro-1H-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-fluoro-5-(1,1,2-trifluoroethyl)-1H-1,2,4-triazole
CID 58361882
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
3,5-bis(1,2,2-trifluoroethenyl)-1H-1,2,4-triazole
CID 89333930
ethene;3-fluoro-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 90743890
3-(1-fluoroethenyl)-5-(trifluoromethyl)-1H-1,2,4-triazole;hydrate
CID 161144865
(Z)-3-[5-(trifluoromethyl)-4H-[1,2,4]triazol-3-yl]-acrylonitrile
CID 24975675

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoroethene;3-(2,2-difluoroethenyl)-5-fluoro-1H-1,2,4-triazole?
The IUPAC name of 1,1-difluoroethene;3-(2,2-difluoroethenyl)-5-fluoro-1H-1,2,4-triazole (CID 91107740) is 1,1-difluoroethene;3-(2,2-difluoroethenyl)-5-fluoro-1H-1,2,4-triazole.
What is the SMILES notation for 1,1-difluoroethene;3-(2,2-difluoroethenyl)-5-fluoro-1H-1,2,4-triazole?
The canonical SMILES for 1,1-difluoroethene;3-(2,2-difluoroethenyl)-5-fluoro-1H-1,2,4-triazole is C=C(F)F.FC(F)=Cc1n[nH]c(F)n1.
What is the InChIKey of 1,1-difluoroethene;3-(2,2-difluoroethenyl)-5-fluoro-1H-1,2,4-triazole?
The InChIKey is JJIQDVMLVNXCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F3N3.C2H2F2/c5-2(6)1-3-8-4(7)10-9-3;1-2(3)4/h1H,(H,8,9,10);1H2.
What are the key properties of 1,1-difluoroethene;3-(2,2-difluoroethenyl)-5-fluoro-1H-1,2,4-triazole?
1,1-difluoroethene;3-(2,2-difluoroethenyl)-5-fluoro-1H-1,2,4-triazole has a molecular weight of 213.11 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoroethene;3-(2,2-difluoroethenyl)-5-fluoro-1H-1,2,4-triazole is sourced from PubChem (CID 91107740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).